Khvorovite, Pb2+4Ca2[Si8B2(SiB)O28]F, a new hyalotekite-group mineral from the Darai-Pioz alkaline massif, Tajikistan: Description and crystal structure

2015 ◽  
Vol 79 (4) ◽  
pp. 949-963 ◽  
Author(s):  
Leonid A. Pautov ◽  
Atali A. Agakhanov ◽  
Elena Sokolova ◽  
Frank C. Hawthorne ◽  
Vladimir Y. Karpenko ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Refractive Indices ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Pyrochlore Group ◽  
Mohs Hardness ◽  
Ideal Composition ◽  
Alkaline Massif ◽  
Simplified Formula

AbstractKhvorovite, ideally Pb42+Ca2[Si8B2(SiB)O28]F, is a new borosilicate mineral of the hyalotekite group from the Darai-Pioz alkaline massif in the upper reaches of the Darai-Pioz river, Tajikistan. Khvorovite was found in a pectolite aggregate in silexites (quartz-rich rocks). The pectolite aggregate consists mainly of pectolite, quartz and fluorite, with minor aegirine, polylithionite, turkestanite and baratovite; accessory minerals are calcite, pyrochlore-group minerals, reedmergnerite, stillwellite-(Ce), pekovite, zeravshanite, senkevichite, sokolovaite, mendeleevite-(Ce), alamosite, orlovite, leucosphenite and several unknown Cs-silicates. Khvorovite occurs as irregular grains, rarely with square or rectangular sections up to 150 μm, and grain aggregates up to 0.5 mm. Khvorovite is colourless, rarely white, transparent with a white streak, has a vitreous lustre and does not fluoresce under ultraviolet light. Cleavage and parting were not observed. Mohs hardness is 5–5.5, and khvorovite is brittle with an uneven fracture. The measured and calculated densities are 3.96(2) and 3.968 g/cm3, respectively. Khvorovite is biaxial (+) with refractive indices (λ = 589 nm) α = 1.659(3), βcalc. = 1.671(2), γ = 1.676(3); 2Vmeas. = 64(3)°, medium dispersion: r < v. Khvorovite is triclinic, space group I1¯, a = 11.354(2), b = 10.960(2), c = 10.271(2) Å, α = 90.32(3), β = 90.00(3), γ = 90.00(3)°, V = 1278(1) Å3, Z = 2. The six strongest lines in the powder X-ray diffraction pattern [d (Å), I, (hkl)] are: 7.86, 100, (110); 7.65, 90, (101); 7.55, 90, (011); 3.81, 90, (202); 3.55, 90, (301); 2.934, 90, (312, 312). Chemical analysis by electron microprobe gave SiO2 36.98, B2O3 6.01, Y2O3 0.26, PbO 40.08, BaO 6.18, SrO 0.43, CaO 6.77, K2O 1.72, Na2O 0.41, F 0.88, O=F –0.37, sum 99.35 wt.%. The empirical formula based on 29 (O+F) a.p.f.u. is (Pb2.762+Ba0.62K0.56Na0.16)Σ4.10(Ca1.86Sr0.06Y0.04Na0.04)Σ2[Si8B2(Si1.46B0.65)Σ2.11O28](F0.71O0.29), Z = 2 , and the simplified formula is (Pb2+, Ba, K)4Ca2[Si8B2(Si,B)2O28]F. The crystal structure of khvorovite was refined to R1 = 2.89% based on 3680 observed reflections collected on a four-circle diffractometer with MoKα radiation. In the crystal structure of khvorovite, there are four [4]-coordinated Si sites occupied solely by Si with <Si–O>= 1.617 Å. The [4]-coordinated B site is occupied solely by B, with <B–O> = 1.478 Å. The [4]-coordinated T site is occupied by Si and B (Si1.46B0.54), with <T–O> = 1.605 Å; it ideally gives (SiB) a.p.f.u. The Si, B and T tetrahedra form an interrupted framework of ideal composition [Si8B2(SiB)O28]11–. The interstitial cations are Pb2+, Ba and K (minor Na) [A(11–22) sites] and Ca [M site]. The two A sites are each split into two subsites ∼0.5 Å apart and occupied by Pb2+ and Ba + K. The [8]-coordinated M site is occupied mainly by Ca, with minor Sr, Y and Na. Khvorovite is a Pb2+ analogue of hyalotekite, (Ba,Pb2+,K)4(Ca,Y)2[Si8(B,Be)2(Si,B)2O28]F and a Pb2+-, Ca-analogue of kapitsaite-(Y), (Ba,K)4(Y,Ca)2[Si8B2(B,Si)2O28]F. It is named after Pavel V. Khvorov (b. 1965), a Russian mineralogist, to honour his contribution to the study of the mineralogy of the Darai-Pioz massif.

scholarly journals Fogoite-(Y), Na3Ca2Y2Ti(Si2O7)2OF3, a Group I TS-block mineral from the Lagoa do Fogo, the Fogo volcano, São Miguel Island, the Azores: Description and crystal structure

2017 ◽  
Vol 81 (2) ◽  
pp. 369-381 ◽  
Author(s):  
F. Cámara ◽  
E. Sokolova ◽  
Y. A. Abdu ◽  
F. C. Hawthorne ◽  
T. Charrier ◽  
...  
Keyword(s):  
Crystal Structure ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Titanium Silicate ◽  
Triclinic Space Group ◽  
X Ray ◽  
Group I ◽  
Mohs Hardness ◽  
Fogo Volcano ◽  
The Ideal

AbstractFogoite-(Y), Na3Ca2Y2Ti(Si2O7)2OF3, is a new mineral from the Lagoa do Fogo, São Miguel Island, the Azores. It occurs in cavities as highly elongated (on [001]) prisms, up to 2000 μm long and 50 μm× 50 μm in cross-section, associated with sanidine, astrophyllite, fluornatropyrochlore, ferrokentbrooksite, quartz and ferro-katophorite. Crystals are generally transparent and colourless, with vitreous lustre, occasionally creamy white. Fogoite-(Y) has a white streak, splintery fracture and very good {100} cleavage. Mohs hardness is ∼5. Dcalc. = 3.523 g/cm3. It is biaxial (+) with refractive indices (λ = 590 nm) α = 1.686(2), β = 1.690(2), γ = 1.702(5); 2Vmeas. = 57(1)° and 2Vcalc. = 60°. It is nonpleochroic. Fogoite-(Y) is triclinic, space group P1, a = 9.575(6), b = 5.685(4), c = 7.279(5) Å, α = 89.985(6), β = 100.933(4), γ = 101.300(5)°, V = 381.2 (7) Å3. The six strongest reflections in the powder X-ray diffraction data [d (Å), I, (hkl)] are: 2.954, 100, (1̄1̄2, 3̄10); 3.069, 42, (300, 01̄2); 2.486, 24, (310, 21̄2); 3.960, 23, (1̄1̄1, 2̄10); 2.626, 21, (2̄20); 1.820, 20, (1̄04). Electron microprobe analysis gave the following empirical formula calculated on 18 (O + F) (Na2.74Mn0.15)∑2.89Ca2[Y1.21(La0.01Ce0.03Nd0.03Sm0.02Gd0.08Dy0.08Er0.05Yb0.04Lu0.01)∑0.35Mn0.16Zr0.11Na0.09Fe0.072+Ca0.01]∑2(Ti0.76Nb0.23Ta0.01)∑1(Si4.03O14)O1.12F2.88, Z = 1. The crystal structure was refined on a twinnedcrystal to R1 = 2.81% on the basis of 2157 unique reflections (Fo > 4σFo) and is a framework of TS (Titanium Silicate) blocks, which consist of HOH sheets (H – heteropolyhedral, O – octahedral) parallel to (100). In the O sheet, the the [6]MO(1) site is occupied mainly by Ti, <MO(1)–ϕ> = 1.980 Å, and the [6]MO(2) and [6]MO(3) sites are occupied by Na and Na plus minor Mn, <MO(2)–ϕ>= 2.490 Å and <MO(3)–ϕ> = 2.378 Å. In the H sheet, the two [4]Si sites are occupied by Si, with <Si–O> = 1.623 Å; the [6]MH site is occupied by Y and rare-earth elements (Y > REE), with minor Mn, Zr, Na, Fe2+ and Ca, <MH–ϕ> = 2.271 Å and the [6]AP site is occupied by Ca, <AP–ϕ> = 2.416 Å. The MH and AP octahedra and Si2O7 groups constitute the H sheet. The ideal compositions of the O and two H sheets are Na3Ti(OF)F2 and Y2Ca2(Si2O7)2 apfu. Fogoite-(Y) is isostructural with götzenite and hainite. The mineral is named after the type locality, the Fogo volcano in the Azores.

Odigitriaite, CsNa5Ca5[Si14B2O38]F2, a new caesium borosilicate mineral from the Darai-Pioz alkaline massif, Tajikistan: Description and crystal structure

2017 ◽  
Vol 81 (1) ◽  
pp. 113-122 ◽  
Author(s):  
Atali A. Agakhanov ◽  
Leonid A. Pautov ◽  
Elena Sokolova ◽  
Frank C. Hawthorne ◽  
Vladimir Yu Karpenko ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Double Layer ◽  
Direct Methods ◽  
Double Layers ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
X Ray ◽  
Mohs Hardness ◽  
Alkaline Massif

AbstractOdigitriaite, a new Cs, Na, Ca borosilicate mineral, was discovered in moraine adjacent to the Darai-Pioz alkaline massif in the upper reaches of the Darai-Pioz river at the intersection of the Turkestansky, Zeravshansky and Alaisky mountain ridges, Tajikistan. It occurs as irregular thin flakes associated with quartz, pectolite, baratovite, fluorite, pekovite, polylithionite, aegirine, leucosphenite, pyrochlore, neptunite, reedmergnerite, mendeleevite-(Ce), zeravshanite and sokolovaite. It is colourless with a white streak, is translucent and has a vitreous lustre; it does not fluoresce under ultraviolet light. Odigitriaite is brittle with an uneven fracture and a Mohs hardness of 5. The calculated density is 2.80(2) g/cm3. The indices of refraction are α = 1.502, β = 1.564, γ = 1.576; 2Vobs = 46(2)°, dispersion is weak r > v, and there is no pleochroism. The chemical composition is as follows (electron microprobe, H2O calculated from structure): SiO2 55.30, Al2O3 0.09, Y2O3 0.44, MnO 0.94, FeO 0.10, PbO 0.21, K2O 0.01 Cs2O 8.36, B2O3 4.75, H2O 0.37, F 1.74, O = F2 –0.74, total 99.43 wt.%. The empirical formula of odigitriaite is Cs0.90Na5.12Ca4.68Mn0.20Y0.06Fe0.02Pb0.01[Si13.92Al0.03B2.06O38]F1.39(OH)0.62. The end-member formula is CsNa5Ca5[Si14B2O38]F2. The strong reflections in the powder X-ray diffraction pattern are: [(d, Å), (I, %), (hkl)]: 5.45 (25) (1 1 3), 4.66 (33) (3 1 1), 4.40 (26) (0 2 2), 4.10 (36) (3 1 3), 3.95 (25) (3̄ 1 3), 2.85 (31) (2 2 2), 2.68 (40) (0 0 6), 3.62 (45) (0 2 4), 3.35 (100) (2̄ 2 4), 3.31 (30) (3̄ 1 5), 3.25 (35) (4 0 4), 3.04 (60) (4̄ 2 2), 2.925 (22) (4̄ 2 3), 1.813 (23) (9 1 0). Odigitriaite is monoclinic, space group C2/c, a = 16.652(5), b = 9.598 (3), c = 22.120(7) Å, β= 92.875(14)°, V = 3530.9(1.9) Å3, Z = 4. The crystal structure of odigitriaite was solved by direct methods and refined to an R1 value of 2.75% based on single-crystal X-ray data. It is a double-layer sheet-borosilicate mineral; Cs and Na are intercalated within the double-layer sheet, and the double layers are linked by interstitial Ca and Na atoms.

Mendeleevite-(Nd), (Cs,□)6 (□,Cs)6 (□,K)6 (REE,Ca)30(Si70O175)(OH,H2O,F)35, a new mineral from the Darai-Pioz alkaline massif, Tajikistan

2017 ◽  
Vol 81 (1) ◽  
pp. 135-141 ◽  
Author(s):  
Atali A. Agakhanov ◽  
Leonid A. Pautov ◽  
Elena Sokolova ◽  
Frank C. Hawthorne ◽  
Vladimir Yu Karpenko ◽  
...  
Keyword(s):  
Chemical Elements ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Cubic Crystals ◽  
X Ray ◽  
Pyrochlore Group ◽  
The World ◽  
Mohs Hardness ◽  
Alkaline Massif ◽  
Measured Density

AbstractMendeleevite-(Nd), (Cs,□)6(□,Cs)6(□,K)6(REE,Ca)30(Si70O175)(OH,H2O,F)35 is a new mineral from the Darai-Pioz alkaline massif, Tajikistan. Mendeleevite-(Nd) was found in a pectolite aggregate in silexites (quartz-rich rocks) which consist of fine to medium pectolite grains, quartz, aegirine and fluorite, with minor khvorovite, mendeleevite-(Ce), sokolovaite, hyalotekite, orlovite, kirchhoffite, pekovite, neptunite, zeravshanite, senkevichite, nordite-(Nd), alamosite, pyrochlore-group minerals and baratovite. Mendeleevite-(Nd) forms colourless cubic crystals 10–40 μm in size; it has a vitreous lustre and a Mohs hardness of 5–5.5; Dmeas. = 3.20(2) g/cm3, Dcalc. = 3.155 g/cm3. Mendeleevite-(Nd) is optically isotropic, with the refractive index n = 1.582(2). Mendeleevite-(Nd) is cubic, space group Pm3̄, a = 21.9106(4) Å; Z = 2. The six strongest reflections in the powder X-ray diffraction pattern are [d (Å), I (%), (h k l)] are: 11.01, 100, (0 0 2); 15.63, 55, (0 1 1); 3.47, 42, (2 0 6); 3.099, 42, (3 4 5); 2.192, 42, (0 0 10); 1.819, 41, (3 6 10). Chemical analysis by electron microprobe gave SiO2 42.30, Ce2O3 10.12, La2O3 3.60, Nd2O3 16.19, Pr2O3 2.79, Sm2O3 4.19, Gd2O3 1.69, Eu2O3 0.47, SrO 2.99, CaO 2.20, Cs2O 8.50, K2O 0.85, H2O 3.85, F 1.25, –O = F2 –0.53, sum 100.46 wt.%, with H2O calculated by analogy with mendeleevite-(Ce). The empirical formula based on 210 (O + F) apfu, with F + OH + H2O = 35 pfu, is Cs6(□4.20K1.80)∑6{[(Nd9.57Ce6.13Sm2.39La2.20Pr1.68Gd0.93Eu0.27)∑23.17(Ca3.90Sr2.87)∑6.77]∑29.94□0.06}∑30(Si70.03O175)(OH14.47F6.54)∑21.01 (H2O)14, Z = 2. The simplified and ideal formulae are (Cs,□)6 (□,Cs)6(□,K)6 (REE,Ca)30 (Si70O175)(OH, H2O,F)35 and Cs6(REE23Ca7)(Si70O175)(OH,F)19(H2O)16, respectively. The compatibility index (from measured density) = – 0.039 (excellent). Mendeleevite-(Nd) is a Nd analogue of mendeleevite-(Ce), (Cs,□)6(□,Cs)6(□,K)6(REE,Ca,□)30(Si70O175)(H2O,OH,F,□)35. Both minerals are named after Dmitri Mendeleev (1834–1907), the great Russian chemist, author of the periodic table of chemical elements, who has had a significant impact on the development of natural sciences and industry, both in Russia and around the world.

Antipinite, KNa3Cu2(C2O4)4, a new mineral species from a guano deposit at Pabellón de Pica, Chile

2015 ◽  
Vol 79 (5) ◽  
pp. 1111-1121 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Sergey M. Aksenov ◽  
Ramiza K. Rastsvetaeva ◽  
Konstantin A. Lyssenko ◽  
Dmitriy I. Belakovskiy ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Gas Chromatography ◽  
Chemical Composition ◽  
Infrared Spectrum ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractThe new oxalate mineral antipinite is found in a guano deposit located on the Pabellón de Pica Mountain, Iquique Province, Tarapacá Region, Chile. Associated minerals are halite, salammoniac, chanabayaite, joanneumite and clays. Antipinite occurs as blue, imperfect, short prismatic crystals up to 0.1 mm × 0.1 mm × 0.15 mm in size, as well as their clusters and random aggregates. The mineral is brittle. Mohs hardness is 2; Dmeas = 2.53(3), Dcalc = 2.549 g cm–3. The infrared spectrum shows the presence of oxalate anions and the absence of absorptions associated with H2O molecules, C–H bonds, CO32–, NO3– and OH– ions. Antipinite is optically biaxial (+), α = 1.432(3), β = 1.530(1), γ = 1.698(5), 2Vmeas = 75(10)°, 2Vcalc = 82°. The chemical composition (electron-microprobe data, C measured by gas chromatography of products of ignition at 1200°C, wt.%) is Na2O 15.95, K2O 5.65, CuO 27.34, C2O3 48.64, total 99.58. The empirical formula is K0.96Na3.04Cu2.03(C2.00O4)4 and the idealized formula is KNa3Cu2(C2O4)4. The crystal structure was solved and refined to R = 0.033 based upon 4085 unique reflections with I > 2σ(I). Antipinite is triclinic, space group P1, a = 7.1574(5), b = 10.7099(8), c = 11.1320(8) Å, α = 113.093(1), β = 101.294(1), γ = 90.335 (1)°, V = 766.51(3) Å3, Z = 2. The strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%) (hkl)] are 5.22 (40) (111), 3.47 (100) (032), 3.39 (80) (210), 3.01 (30) (033, 220), 2.543 (40) (122, 034, 104), 2.481 (30) (213), 2.315 (30) (143, 310), 1.629 (30) (146, 414, 243, 160).

Cesiokenopyrochlore, the First Natural Niobate with an Inverse Pyrochlore Structure

2021 ◽  
Author(s):  
Atali A. Agakhanov ◽  
Anatoly V. Kasatkin ◽  
Sergey N. Britvin ◽  
Oleg I. Siidra ◽  
Leonid A. Pautov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Pyrochlore Structure ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Strong Light ◽  
X Ray ◽  
Holotype Specimen ◽  
Reflected Light ◽  
Pyrochlore Group ◽  
Simplified Formula

Abstract Cesiokenopyrochlore is a new mineral belonging to the pyrochlore group. It was discovered in a specimen of granitic pegmatite collected at Tetezantsio, Betafo region, Madagascar. The mineral forms rough equant crystals up to 0.05 mm in size intergrown with béhierite and rynersonite. Cesiokenopyrochlore is light-brown, translucent, with resinous luster. Dcalc. = 5.984 g/cm3. In reflected light it is light gray, isotropic, with strong light-brown internal reflections. The crystal structure was refined to R1 = 0.0212. The mineral is cubic, , a = 10.444(1) Å, V = 1139.5(2) Å3, and Z = 8. The strongest lines of the powder X-ray diffraction pattern [d, Å, (I, %) (hkl)] are: 6.03 (37) (111), 3.70 (9) (220), 3.15 (100) (311), 3.02 (36) (222), 2.012 (17) (511, 333), 1.848 (19) (440), 1.576 (11) (622). The chemical composition is (wt.%; electron microprobe): Cs2O 22.66, Na2O 1.74, CaO 0.64, Nb2O5 20.87, Ta2O5 21.27, WO3 30.67, H2O (calc) 0.12, total 97.97. The empirical formula of the holotype specimen calculated on the basis of (Nb+Ta+W) = 2 apfu and (O+OH) = 6 apfu and written according to the pyrochlore-supergroup nomenclature is Na0.29Ca0.06(Nb0.81W0.69Ta0.50)Σ2[O5.93(OH)0.07]Σ6Cs0.83. The simplified formula of the holotype specimen is □2(Nb,W,Ta)Σ2O6Cs. Cesiokenopyrochlore is the first natural niobate to adopt the inverse pyrochlore structure.

Cámaraite, Ba3NaTi4(Fe2+,Mn)8(Si2O7)4O4(OH,F)7. I. A new Ti-silicate mineral from the Verkhnee Espe Deposit, Akjailyautas Mountains, Kazakhstan

2009 ◽  
Vol 73 (5) ◽  
pp. 847-854 ◽  
Author(s):  
E. Sokolova ◽  
Y. Abdu ◽  
F. C. Hawthorne ◽  
A. V. Stepanov ◽  
G. K. Bekenova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Refractive Indices ◽  
New Mineral ◽  
Silicate Mineral ◽  
Calculated Density ◽  
Triclinic Space Group ◽  
X Ray ◽  
International Mineralogical Association ◽  
Mineralogical Association ◽  
Mohs Hardness

AbstractCámaraite, ideally Ba3NaTi4(Fe2+,Mn)8(Si2O7)4O4(OH,F)7, is a new mineral from the Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan. It occurs as intergrowths with bafertisite and jinshajiangite in separate platy crystals up to 8 mm × 15 mm × 2 mm in size, or as star-shaped aggregates of crystals with different orientations. Individual crystals are orange-red to brownish-red, and are platy on {001}. Cámaraite is translucent and has a pale-yellow streak, a vitreous lustre, and does not fluoresce under cathode or ultraviolet light. Cleavage is {001} perfect, no parting was observed, and Mohs hardness is <5; the mineral is brittle. The calculated density is 4.018 g cm-3. In transmitted light, camaraite is strongly pleochroic, X = light brown, Y = reddish-brown, Z = yellow- brown, with Z < X < Y. Cámaraite is biaxial +ve and 2Vmeas. = 93(1)°. All refractive indices are greater than 1.80. Cámaraite is triclinic, space group C, a = 10.678(4) Å, b = 13.744(8) Å, c = 21.40(2) Å, α = 99.28(8)°, β = 92.38(5)°, γ = 90.00(6)°, V = 3096(3) Å3, Z = 4, a:b:c = 0.7761:1:1.5565. The seven strongest lines in the X-ray powder-diffraction pattern are as follows: [d (Å), (I), (hkl)]: 2.63, (100), (401); 2.79, (90), (3, 41, 26, 225); 1.721, (70), (11, 49, 02); 3.39, (50), (24, 223); 3.18, (50), (5, 24); 2.101, (50), (2, 40); 1.578, (50), (1, 2, 61, 40). Chemical analysis by electron microprobe gave: Nb2O5 1.57, SiO2 25.25, TiO2 15.69, ZrO2 0.33, Al2O3 0.13, Fe2O3 2.77, FeO 16.54, MnO 9.46, ZnO 0.12, MgO 0.21, CaO 0.56, BaO 21.11, Na2O 1.41, K2O 0.84, H2O 1.84, F 3.11, less O:F 1.31, total 99.63 wt.%, where the valence state of Fe was determined by Mössbauer spectroscopy [Fe3+/(Fe2+ + Fe3+) = 0.13(8)] and the H2O content was derived by crystal-structure determination. The resulting empirical formula on the basis of 39 anions is Ca0.05)Σ7.78Si7.97O35.89H3.88F3.11. Cámaraite is a Group-II TS-block mineral in the structure hierarchy of Sokolova (2006). The mineral is named camaraite after Fernando Cámaraite (born 1967) of Melilla, Spain, in recognition of his contribution to the fields of mineralogy and crystallography. The new mineral and mineral name have been approved by the Commission on New Minerals, Nomenclature and Classification, International Mineralogical Association (IMA 2009-11).

Two-dimensional lanthanide(III) coordination polymers: solvothermal synthesis, crystal structure, and stability

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Runmei Ding ◽  
Zixin He ◽  
Meilin Wang ◽  
Danian Tian ◽  
Peipei Cen
Keyword(s):  
Crystal Structure ◽  
Coordination Polymers ◽  
Solvothermal Synthesis ◽  
Analysis Data ◽  
Water Stability ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Solvothermal Conditions

AbstractBased on 2-(4-pyridyl)-terephthalate (H2pta) and oxalate ligands, two new lanthanide-containing coordination polymers (CPs), [Tb(pta)(C2O4)0.5(H2O)2)]·2H2O (1) and [Sm(pta)(C2O4)0.5(H2O)2)]·2H2O (2), have been synthesized under solvothermal conditions. The structures of both 1 and 2 have been determined by single-crystal X-ray diffraction. Infrared, elemental analysis, powder X-ray diffraction and thermogravimetric analysis data are also presented. The crystals of 1 and 2 exhibit isostructural layer-like networks, crystallizing in the triclinic space group P$&#x203e;{1}$. The layers are further stabilized and associated into 3D architectures through hydrogen bonding. Remarkably, the CPs 1 and 2 exhibit excellent water stability and remarkable thermostability with thermal decomposition temperatures of more than 420 °C.

Kihlmanite-(Ce), Ce2TiO2[SiO4](HCO3)2(H2O), a new rare-earth mineral from the pegmatites of the Khibiny alkaline massif, Kola Peninsula, Russia

2014 ◽  
Vol 78 (3) ◽  
pp. 483-496 ◽  
Author(s):  
V. N. Yakovenchuk ◽  
S.V. Krivovichev ◽  
G. Y. Ivanyuk ◽  
Ya. A. Pakhomovsky ◽  
E.A. Selivanova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
X Ray ◽  
Intimate Association ◽  
Mohs Hardness ◽  
Rare Earth Mineral ◽  
Alkaline Massif ◽  
Khibiny Alkaline Massif

AbstractKihlmanite-(Ce), Ce2TiO2[SiO4](HCO3)2(H2O), is a new rare-earth titanosilicate carbonate, closely related to tundrite-(Ce). It is triclinic, P, a = 4.994(2), b = 7.54(2), c = 15.48(4) Å, α = 103.5(4), β = 90.7(2), γ = 109.2(2)o , V = 533(1) Å3, Z = 2 (from powder diffraction data) or a = 5.009(5), b = 7.533(5), c = 15.407(5) Å, α = 103.061(5), β = 91.006(5), γ = 109.285(5)°, V = 531.8(7) Å3, Z = 2 (from single-crystal X-ray diffraction data). The mineral was found in the arfvedsonite-aegirine-microcline vein in fenitized metavolcanic rock at the foot of the Mt Kihlman (Chil’man), near the western contact of the Devonian Khibiny alkaline massif and the Proterozoic Imandra-Varzuga greenstone belt. It forms brown spherulites (up to 2 cm diameter) and sheaf-like aggregates of prismatic crystals, flattened on {010} and up to 0.5 mm diameter. Both spherulites and aggregates occur in interstices in arfvedsonite and microcline, in intimate association with golden-green tundrite-(Ce). Kihlmanite-(Ce) is brown, with a vitreous lustre and a pale yellowish-brown streak. The cleavage is perfect on {010}, parting is perpendicular to c and the fracture is stepped. Mohs hardness is ∼3. In transmitted light, the mineral is yellowish brown; pleochroism and dispersion were not observed. Kihlmanite-(Ce) is biaxial (+), α = 1.708(5), β = 1.76(1), γ = 1.82(1) (589 nm), 2Vcalc = 89°. The optical orientation is Y ^ c = 5°, other details are unclear. The calculated and measured densities are 3.694 and 3.66(2) g cm−3, respectively. The mean chemical composition, determined by electron microprobe, is: Na2O 0.13, Al2O3 0.24, SiO2 9.91, CaO 1.50, TiO2 11.04, MnO 0.26, Fe2O3 0.05, Nb2O5 2.79, La2O3 12.95, Ce2O3 27.33, Pr2O3 2.45, Nd2O3 8.12, Sm2O3 1.67, Gd2O3 0.49 wt.%, with CO2 15.0 and H2O 6.0 wt.% (determined by wet chemical and Penfield methods, respectively), giving a total of 99.93 wt.%. The empirical formula calculated on the basis of Si + Al = 1 atom per formula unit is (Ca0.16Na0.11Mn0.02)∑0.29[(Ce0.98La0.47Pr0.09Nd0.29Sm0.06Gd0.02)∑1.91(Ti0.82Nb0.12)∑0.94O2 (Si0.97Al0.03)∑1O4.02(HCO3)2.01](H2O)0.96. The simplified formula is Ce2TiO2(SiO4)(HCO3)2·H2O. The mineral reacts slowly in cold 10% HCl with weak effervescence and fragmentation into separate plates. The strongest X-ray powder-diffraction lines [listed as d in Å(I) (hkl)] are as follows: 15.11(100)(00), 7.508(20)(00), 6.912(12)(01), 4.993(14)(00), 3.563(15)(01), 2.896(15)(1). The crystal structure of kihlmanite-(Ce) was refined to R1 = 0.069 on the basis of 2441 unique observed reflections (MoKα, 293 K). It is closely related to the crystal structure of tundrite-(Ce) and is based upon [Ce2TiO2(SiO4)(HCO3)2] layers parallel to (001). Kihlmanite-(Ce) can be considered as a cationdeficient analogue of tundrite-(Ce). The mineral is named in honour of Alfred Oswald Kihlman (1858–1938), a remarkable Finnish geographer and botanist who participated in the Wilhelm Ramsay expeditions to the Khibiny Mountains in 1891–1892. The mineral name also reflects its occurrence at the Kihlman (Chil’man) Mountain.

Sergevanite, Na15(Ca3Mn3)(Na2Fe)Zr3Si26O72(OH)3·H2O, a new eudialyte-group mineral from the Lovozero alkaline massif, Kola Peninsula

2020 ◽  
Vol 58 (4) ◽  
pp. 421-436 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Sergey M. Aksenov ◽  
Igor V. Pekov ◽  
Dmitriy I. Belakovskiy ◽  
Svetlana A. Vozchikova ◽  
...  
Keyword(s):  
Kola Peninsula ◽  
Structural Data ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
Eudialyte Group ◽  
Group Mineral ◽  
X Ray ◽  
Mohs Hardness ◽  
Alkaline Massif

ABSTRACT The new eudialyte-group mineral sergevanite, ideally Na15(Ca3Mn3)(Na2Fe)Zr3Si26O72(OH)3·H2O, was discovered in highly agpaitic foyaite from the Karnasurt Mountain, Lovozero alkaline massif, Kola Peninsula, Russia. The associated minerals are microcline, albite, nepheline, arfvedsonite, aegirine, lamprophyllite, fluorapatite, steenstrupine-(Ce), ilmenite, and sphalerite. Sergevanite forms yellow to orange-yellow anhedral grains up to 1.5 mm across and the outer zones of some grains of associated eudialyte. Its luster is vitreous, and the streak is white. No cleavage is observed. The Mohs' hardness is 5. Density measured by equilibration in heavy liquids is 2.90(1) g/cm3. Calculated density is equal to 2.906 g/cm3. Sergevanite is nonpleochroic, optically uniaxial, positive, with ω = 1.604(2) and ε = 1.607(2) (λ = 589 nm). The infrared spectrum is given. The chemical composition of sergevanite is (wt.%; electron microprobe, H2O determined by HCN analysis): Na2O 13.69, K2O 1.40, CaO 7.66, La2O3 0.90, Ce2O3 1.41, Pr2O3 0.33, Nd2O3 0.64, Sm2O3 0.14, MnO 4.15, FeO 1.34, TiO2 1.19, ZrO2 10.67, HfO2 0.29, Nb2O5 1.63, SiO2 49.61, SO3 0.77, Cl 0.23, H2O 4.22, –O=Cl –0.05, total 100.22. The empirical formula (based on 25.5 Si atoms pfu, in accordance with structural data) is H14.46Na13.64K0.92Ca4.22Ce0.27La0.17Nd0.12Pr0.06Sm0.02Mn1.81Fe2+0.58Ti0.46Zr2.67Hf0.04Nb0.38Si25.5S0.30Cl0.20O81.35. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is trigonal, space group R3, with a = 14.2179(1) Å, c = 30.3492(3) Å, V = 5313.11(7) Å3, and Z = 3. In the structure of sergevanite, Ca and Mn are ordered in the six-membered ring of octahedra (at the sites M11 and M12), and Na dominates over Fe2+ at the M2 site. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 7.12 (70) (110), 5.711 (43) (202), 4.321 (72) (205), 3.806 (39) (033), 3.551 (39) (220, 027), 3.398 (39) (313), 2.978 (95) (), 2.855 (100) (404). Sergevanite is named after the Sergevan' River, which is near the discovery locality.

Somersetite, Pb8O(OH)4(CO3)5, a new complex hydrocerussite-related mineral from the Mendip Hills, England

2018 ◽  
Vol 82 (5) ◽  
pp. 1211-1224 ◽  
Author(s):  
Oleg I. Siidra ◽  
Diana O. Nekrasova ◽  
Rick Turner ◽  
Anatoly N. Zaitsev ◽  
Nikita V. Chukanov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Infrared Spectrum ◽  
Weak Interactions ◽  
New Mineral ◽  
Single Crystal Xrd ◽  
X Ray Diffraction ◽  
Electron Pairs ◽  
Xrd Pattern ◽  
X Ray ◽  
Simplified Formula

ABSTRACTThe new mineral somersetite, has been found at Torr Works (‘Merehead quarry’) in Somerset, England, United Kingdom. Somersetite is green or white (typically it is similar visually to hydrocerussite-like minerals but with a mint-green tint), forms plates and subhedral grains up to 5 mm across and up to 2 mm thick. In bi-coloured crystals it forms very thin intergrowths with plumbonacrite. The empirical formula of somersetite is Pb8.00C5.00H4.00O20. The simplified formula is Pb8O(OH)4(CO3)5, which requires: PbO = 87.46, CO2 = 10.78, H2O = 1.76, total 100.00 wt.%.The infrared spectrum of somersetite is similar to that of plumbonacrite and, to a lesser degree, hydrocerussite. Somersetite is hexagonal, P63/mmc, a = 5.2427(7), c = 40.624(6) Å, V = 967.0(3) Å3 and Z = 2. The eight strongest reflections of the powder X-ray diffraction (XRD) pattern [d,Å(I)(hkl)] are: 4.308(33)(103), 4.148(25)(104), 3.581(40)(107), 3.390(100)(108), 3.206(55)(109), 2.625(78)(110), 2.544(98)(0.0.16) and 2.119(27)(1.0.17). The crystal structure was solved from single-crystal XRD data giving R1 = 0.031. The structure of somersetite is unique and consists of the alternation of the electroneutral plumbonacrite-type [Pb5O(OH)2(CO3)3]0 and hydrocerussite-type [Pb3(OH)2(CO3)2]0 blocks separated by stereochemically active lone electron pairs on Pb2+. There are two blocks of each type per unit cell in the structure, which corresponds to the formula [Pb5O(OH)2(CO3)3][Pb3(OH)2(CO3)2] or Pb8O(OH)4(CO3)5 in a simplified representation. The 2D blocks are held together by weak Pb–O bonds and weak interactions between lone pairs.

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