scholarly journals Roméite-Group Minerals Review: New Crystal Chemical and Raman Data of Fluorcalcioroméite and Hydroxycalcioroméite

Minerals ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1409
Author(s):  
Gerson A. C. Lopes ◽  
Daniel Atencio ◽  
Javier Ellena ◽  
Marcelo B. Andrade
Keyword(s):  
Crystal Structure ◽  
Microprobe Analysis ◽  
Bond Valence ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Crystallographic Site ◽  
Cubic Crystal ◽  
X Ray ◽  
New Mineral Species ◽  
Structural Formulas

The roméite-group is part of the pyrochlore-supergroup and comprises cubic oxides of A2B2X6Y formula in which Sb5+ predominates in the B-site. The A and Y main occupants determine different minerals in the group and are important for the discovery of new mineral species. Two different roméite-group mineral samples were analysed by electron microprobe analysis (EMPA), Raman spectroscopy and single-crystal X-ray diffraction (XRD). The first sample is from Prabornaz Mine (locality of the original roméite), Saint Marcel, Valle d’Aosta, Italy, whereas the other one occurs in Kalugeri Hill, Babuna Valley, Jakupica Mountains, Nezilovo, Veles, Macedonia. Sample 1 was identified as fluorcalcioroméite, and sample 2 as hydroxycalcioroméite. Both samples belong to the cubic crystal system, space group Fd3¯m, Z = 8, where a = 10.2881(13) Å, V = 1088.9(4) Å3 for sample 1, and a = 10.2970(13) Å, V = 1091.8(4) Å3 for sample 2. The crystal structure refinements converged to (1) R1 = 0.016, wR2 = 0.042; and (2) R1 = 0.023, wR2 = 0.049. Bond-valence calculations validated the crystal structure refinements determining the correct valences at each crystallographic site. Discrepancies observed in the Sb5+ bond-valence calculations were solved with the use of the proper bond valence parameters. The resulting structural formulas are (Ca1.29Na0.55□0.11Pb0.05)Σ=2.00(Sb1.71Ti0.29)Σ=2.00[O5.73(OH)0.27]Σ=6.00[F0.77O0.21(OH)0.02]Σ=1.00 for sample 1, and (Ca1.30Ce0.51□0.19)Σ=2.00(Sb1.08Ti0.92)Σ=2.00O6.00[(OH)0.61O0.21F0.18]Σ=1.00 for sample 2. The Raman spectra of the samples exhibited the characteristic bands of roméite-group minerals, the most evident corresponding to the Sb-O stretching at around 510 cm−1.

Oxycalcioroméite, Ca2Sb2O6O, from Buca della Vena mine, Apuan Alps, Tuscany, Italy: a new member of the pyrochlore supergroup

2013 ◽  
Vol 77 (7) ◽  
pp. 3027-3037 ◽  
Author(s):  
C. Biagioni ◽  
P. Orlandi ◽  
F. Nestola ◽  
S. Bianchin
Keyword(s):  
Crystal Structure ◽  
Detection Limit ◽  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Structure Study ◽  
New Mineral ◽  
X Ray ◽  
New Mineral Species ◽  
Single Crystal Study ◽  
Apuan Alps

AbstractThe new mineral species oxycalcioroméite, Ca2Sb5+2O6O, has been discovered at the Buca della Vena mine, Stazzema, Apuan Alps, Tuscany, Italy. It occurs as euhedral octahedra, up to 0.1 mm in size, embedded in dolostone lenses in the baryte + pyrite + iron oxides ore. Associated minerals are calcite, cinnabar, derbylite, dolomite, hematite, 'mica', pyrite, sphalerite and 'tourmaline'. Oxycalcioroméite is reddish-brown in colour and transparent. It is isotropic, with ncalc = 1.950.Electron microprobe analysis gave (wt.%; n = 6) Sb2O5 63.73, TiO2 3.53, SnO2 0.28, Sb2O3 10.93, V2O3 0.68, Al2O3 0.28, PbO 0.68, FeO 5.52, MnO 0.13, CaO 13.68, Na2O 0.83, F 1.20, O = F – 0.51, total 100.96. No H2O, above the detection limit, was indicated by either infrared or micro-Raman spectroscopies. The empirical formula, based on 2 cations at the B site, is (Ca1.073Fe2+0.338Sb3+0.330Na0.118Pb0.013Mn0.008)Σ=1.880(Sb5+1.734Ti0.194V0.040Al0.024Sn0.008)Σ=2.000(O6.682F0.278)Σ6.960. The crystal structure study gives a cubic unit cell, space group Fdm, with a 10.3042(7) Å, V 1094.06(13) Å3, Z = 8. The five strongest X-ray powder diffraction lines are [d(Å)I(visually estimated)(hkl)]: 3.105(m)(311); 2.977(s)(222); 2.576(m)(400); 1.824(ms)(440); and 1.556(ms)(622). The crystal structure of oxycalcioroméite has been solved by X-ray single-crystal study on the basis of 114 observed reflections, with a final R1 = 0.0114. It agrees with the general features of the members of the pyrochlore supergroup.

scholarly journals Crystallochemical aspects of two microlite-group new mineral species

2014 ◽  
Vol 70 (a1) ◽  
pp. C1095-C1095
Author(s):  
Marcelo Andrade ◽  
Javier Ellena ◽  
Daniel Atencio
Keyword(s):  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
New Mineral Species ◽  
Group 1

Fluorcalciomicrolite, Ca1.5Ta2O6F, and hydroxycalciomicrolite, Ca1.5Ta2O6(OH), are new microlite-group [1] minerals found in the Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil. Both occur as octahedral and rhombododecahedral crystals. The crystals are colourless, yellow and translucent, with vitreous to resinous luster. The densities calculated for fluorcalciomicrolite [2] and hydroxycalciomicrolite are 6.160 and 6.176 g/cm3, respectively. The empirical formulae obtained from electron microprobe analysis are (Ca1.07Na0.81□0.12)Σ2(Ta1.84Nb0.14Sn0.02)Σ2[O5.93(OH)0.07]Σ6.00[F0.79(OH)0.21] for fluorcalciomicrolite and (Ca1.48Na0.06Mn0.01)Σ1.55(Ta1.88Nb0.11Sn0.01)Σ2O6[(OH)0.76F0.20O0.04] for hydroxycalmicrolite. Fluorcalciomicrolite is cubic, space group Fd-3m, a = 10.4191(6) Å, V = 1131.07(11) Å3, and Z = 8. Hydroxycalciomicrolite is also cubic; however, the presence of P-lattice is confirmed by the large number of weak reflections observed by X-ray diffraction. As a result, the space group is P4332 and unit-cell parameters are a = 10.4211(8) Å, and V = 1131.72(15) Å3.

Hylbrownite, Na3MgP3O10·12H2O, a new triphosphate mineral from the Dome Rock Mine, South Australia: description and crystal structure

2013 ◽  
Vol 77 (3) ◽  
pp. 385-398 ◽  
Author(s):  
P. Elliott ◽  
J. Brugger ◽  
T. Caradoc-Davies ◽  
A. Pring
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
South Australia ◽  
New Mineral ◽  
Monoclinic Space Group ◽  
Thick Sheet ◽  
X Ray Diffraction ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractHylbrownite, ideally Na3MgP3O10·12H2O, the second known triphosphate mineral, is a new mineral species from the Dome Rock mine, Boolcoomatta Reserve, Olary Province, South Australia, Australia. The mineral forms aggregates and sprays of crystals up to 0.5 mm across with individual crystals up to 0.12 mm in length and 0.02 mm in width. Crystals are thin prismatic to acicular in habit and are elongate along [001]. Forms observed are {010}, {100}, {001}, {210} and {201}. Crystals are colourless to white, possess a white streak, are transparent, brittle, have a vitreous lustre and are nonfluorescent. The measured density is 1.81(4) g cm−3; Mohs' hardness was not determined. Cleavage is good parallel to {001} and to {100} and the fracture is uneven. Hylbrownite crystals are nonpleochroic, biaxial (−), with α = 1.390(4), β = 1.421(4), γ = 1.446(4) and 2Vcalc. = 82.2°. Hylbrownite is monoclinic, space group P21/n, with a = 14.722(3), b = 9.240(2), c = 15.052(3) Å, β = 90.01(3)°, V = 2047.5(7) Å3, (single-crystal data) and Z = 4. The strongest lines in the powder X-ray diffraction pattern are [d (Å)(I)(hkl)]: 10.530(60)(10,101), 7.357(80)(200), 6.951(100)(11, 111), 4.754(35)(10, 103), 3.934(40)(022), 3.510(45)(30, 303), 3.336(35)(41, 411). Chemical analysis by electron microprobe gave Na2O 16.08, MgO 7.08, CaO 0.43, P2O5 37.60, H2Ocalc 38.45, total 99.64 wt.%. The empirical formula, calculated on the basis of 22 oxygen atoms is Na2.93Mg0.99Ca0.04P2.99O9.97·12.03H2O. The crystal structure was solved from single-crystal X-ray diffraction data using synchrotron radiation (T = 123 K) and refined to R1 = 4.50% on the basis of 2417 observed reflections with F0 > 4 σ(F0). [Mg(H2O)3P3O10] clusters link in the b direction to Naφ6 octahedra, by face and corner sharing. Edge sharing Naφ6 Octahedra and Naφ7 polyhedra form Na2O9 groups which link via corners to form chains along the b direction. Chains link to [Mg(H2O)3P3O10] clusters via corner-sharing in the c direction and form a thick sheet parallel to (100). Sheets are linked in the a direction via hydrogen bonds.

Shilovite, natural copper(II) tetrammine nitrate, a new mineral species

2015 ◽  
Vol 79 (3) ◽  
pp. 613-623 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Sergey N. Britvin ◽  
Gerhard Möhn ◽  
Igor V. Pekov ◽  
Natalia V. Zubkova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Infrared Spectrum ◽  
Copper Complex ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractThe new mineral shilovite, the first natural tetrammine copper complex, was found in a guano deposit located on the Pabellón de Pica Mountain, near Chanabaya, Iquique Province, Tarapacá Region, Chile. It is associated with halite, ammineite, atacamite (a product of ammineite alteration) and thénardite. The gabbro host rock consists of amphibole, plagioclase and minor clinochlore, and contains accessory chalcopyrite. The latter is considered the source of Cu for shilovite. The new mineral occurs as deep violet blue, imperfect, thick tabular to equant crystals up to 0.15 mm in size included in massive halite. The mineral is sectile. Its Mohs hardness is 2. Dcalc is 1.92 g cm–3. The infrared spectrum shows the presence of NH3 molecules and NO3– anions. Shilovite is optically biaxial (+), α = 1.527(2), β = 1.545(5), γ = 1.610(2). The chemical composition (electron-microprobe data, H calculated from ideal formula, wt.%) is Cu 26.04, Fe 0.31, N 30.8, O 35.95, H 4.74, total 100.69. The empirical formula is H12.56(Cu1.09Fe0.01)N5.87O6.00. The idealized formula is Cu(NH3)4(NO3)2. The crystal structure was solved and refined to R = 0.029 based upon 2705 unique reflections having F > 4σ(F). Shilovite is orthorhombic, space group Pnn2, a = 23.6585(9), b = 10.8238(4), c = 6.9054(3) Å, V = 1768.3(1) Å3, Z = 8. The strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%) (hkl)] are: 5.931 (41) (400), 5.841 (100) (011), 5.208 (47) (410), 4.162 (88) (411), 4.005 (62) (420), 3.462 (50) (002), 3.207 (32) (031), 2.811 (40) (412).

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).

Windmountainite, □Fe3+2Mg2□2Si8O20(OH)2(H2O)4·4H2O, a new modulated, layered Fe3+-Mg-silicate-hydrate from Wind Mountain, New Mexico: Characterization and origin, with comments on the classification of palygorskite-group minerals

2020 ◽  
Vol 58 (4) ◽  
pp. 477-509
Author(s):  
Derek D. Leung ◽  
Andrew M. McDonald
Keyword(s):  
Crystal Structure ◽  
New Mexico ◽  
Late Stage ◽  
Structure Refinement ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
X Ray ◽  
New Mineral Species

ABSTRACT Windmountainite, ideally □Fe3+2Mg2□2Si8O20(OH)2(H2O)4·4H2O, is a new mineral species and member of the palygorskite group discovered as orange-brown, radiating aggregates that commonly fill vesicles (average 1.5 × 2.5 mm) within a phonolite dike at Wind Mountain, Otero County, New Mexico, USA. The mineral develops as tightly bound bundles (up to 0.02 × 6 mm) of acicular to bladed crystals that are elongate on [001] and flattened on the pinacoid {010}. Associated minerals include albite, aegirine, fluorapophyllite-(K), natrolite, neotocite, and montmorillonite, the last of these being observed to replace primary windmountainite. It has a dull luster, silky in aggregates, is translucent and has an orange-brown streak. It does not fluoresce under short-, medium-, or long-wave ultraviolet radiation. Windmountainite is brittle with a splintery fracture and has two good cleavages (predicted) on {110}, an estimated hardness of 2, a calculated density of 2.51 g/cm3, and a calculated navg of 1.593. A total of n = 30 EMPA (WDS) analyses from six grains yielded an average of (wt.%): Na2O 0.08, MgO 3.47, Al2O3 1.15, SiO2 49.76, Cl 0.07, K2O 0.40, CaO 0.68, TiO2 0.30, MnO 5.64, Fe2O3 20.17, H2O (calc.) 16.59, O=Cl –0.02, total 98.29. The empirical formula [based on Σ(T1, T2, M2, M3) = 12 cations pfu, excluding Ca, K, and Na] is: (□0.78Ca0.12K0.08Na0.02)Σ1.00(Fe3+1.93Al0.04Ti0.02)Σ1.99 (Mg0.81Mn2+0.75Fe3+0.44)Σ2.00□2(Si7.81Al0.17Ti0.01Fe3+0.01)Σ8.00O20[(OH)1.98Cl0.02]Σ2.00[(H2O)3.38(OH)0.62]Σ4.00·4H2O, yielding the simplified formula, □Fe3+2Mg2□2Si8O20(OH)2(H2O)4·4H2O. The predominance of Fe3+ is based on color, results from the crystal-structure refinement, the crystal-chemistry of palygorskite-group minerals, the association with Fe3+-dominant minerals, and considerations regarding the late-stage geochemical evolution of agpaitic rocks. The presence of H2O and OH was determined based on results from the refined crystal structure and Fourier-transform infrared spectroscopy. Windmountainite crystallizes in the space group C2/m with a 13.759(3), b 17.911(4), c 5.274(1) Å, β 106.44(3)°, V 1246.6(1) Å3, and Z = 2. The seven strongest powder X-ray diffraction lines are [d in Å (I), (hkl)]: 10.592 (100) (110), 5.453 (16) (130), 4.484 (19) (040), 4.173 (28) , 3.319 (53) (221, 400), 2.652 (30) , 2.530 (27) . The crystal structure was determined from single-crystal X-ray diffraction data and refined to R = 4.01% and wR2 = 10.70% using data from 902 reflections (Fo > 4σFo). It is based on sheets of inverted double chains of SiO4 tetrahedra that sandwich ribbons of Mφ6 octahedra (φ = O, OH, H2O, Cl), giving rise to large channels (∼6.5 × 9 Å) that are occupied by loosely held H2O groups. A modified classification of the palygorskite group [general crystal-chemical formula M1M22M32M42T14T24O20(OH)2(H2O,OH)4·W] is proposed based on the occupants of the four M sites. Within this scheme, windmountainite is the □-Fe3+-Mg-□ member. The palygorskite group includes six members: palygorskite (monoclinic and orthorhombic polytypes), yofortierite, tuperssuatsiaite, raite, windhoekite, and windmountainite. Windmountainite is considered to have formed from late-stage fluids that were alkaline, oxidized, and rich in both Fe3+ and H2O; high aH2O conditions are reflective of abundant, hydrated feldspathoids (natrolite and analcime) forming as primary rock-forming minerals in the phonolite at Wind Mountain.

Dyrnaesite-(La) a new hyperagpaitic mineral from the Ilímaussaq alkaline complex, South Greenland

2017 ◽  
Vol 81 (1) ◽  
pp. 103-111 ◽  
Author(s):  
Jørn G. Rønsbo ◽  
Tonči Balić-Žunić ◽  
Ole V. Petersen
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Microprobe Analysis ◽  
Structural Formula ◽  
Accessory Mineral ◽  
New Mineral ◽  
Fracture Density ◽  
X Ray Diffraction ◽  
Alkaline Complex ◽  
X Ray

AbstractThe new mineral, dyrnaesite-(La), is found in the Ilímaussaq alkaline complex, South Greenland. The holotype material originates from an arfvedsonite lujavrite sheet as an accessory mineral. Dyrnaesite-(La) is pale yellowish green, with no cleavage and an irregular fracture. Density is 3.68(2)/3.682 g/cm3(measured/ calculated). It is biaxial, negative, 2Vα = 47(1)/48 (measured/calculated); α = 1.6226(5), β = 1.6852(10), γ = 1.6982(2);X=c,Y=a,Z=b. The average values of microprobe analyses are (wt.%) P2O537.17, SiO20.15, CaO 0.90, Na2O 20.06, La2O316.44, CeO220.23, Pr2O31.40, Nd2O33.47, Sm2O30.24, Dy2O30.06, Y2O30.06.The crystal structure was solved from single-crystal X-ray diffraction data. Dyrnaesite-(La) is orthorhombic,Pnma;a= 18.4662(7) Å,b= 16.0106(5) Å,c= 7.0274(2) Å,V= 2077.7(2) Å3,Z= 4. The structural formula calculated from the diffraction data and microprobe analysis is Na7.89(Ce0.94Ca0.06)∑1.00(Ca0.12La1.14Ce0.40Pr0.10Nd0.24)∑2.00(PO4)6, the simplified formula is Na8Ce4+REE2(PO4)6. The crystal structure is related closely to that of vitusite-(Ce), but is distinct from it in several aspects. The five strongest lines of the powder X-ray diffraction pattern are (d Å, (I %), (hkl)); 6.57 (100) (101), 4.62 (40) (301, 230, 400), 3.50 (40) (331), 2.80 (86) (232, 402), 2.67 (54) (060,630).

Coiraite, (Pb,Sn2+)12.5As3Fe2+Sn4+5 S28: a franckeite-type new mineral species from Jujuy Province, NW Argentina

2008 ◽  
Vol 72 (5) ◽  
pp. 1083-1101 ◽  
Author(s):  
W. H. Paar ◽  
Y. Moëlo ◽  
N. N. Mozgova ◽  
N. I. Organova ◽  
C. J. Stanley ◽  
...  
Keyword(s):  
Low Temperature ◽  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Mineral Species ◽  
New Mineral ◽  
Hydrothermal Solutions ◽  
X Ray ◽  
New Mineral Species ◽  
Primary Mineral ◽  
The Ideal

AbstractCoiraite, ideally (Pb,Sn2+)12.5As3Fe2+Sn4+S28, occurs as an economically important tin ore in the large Ag-Sn-Zn polymetallic Pirquitas deposit, Jujuy Province, NW-Argentina. The new mineral species is the As derivative of franckeite and belongs to the cylindrite group of complex Pb sulphosalts with incommensurate composite-layered structures. It is a primary mineral, frequently found in colloform textures, and formed from hydrothermal solutions at low temperature. Associated minerals are franckeite, cylindrite, pyrite-marcasite, as well as minor amounts of hocartite, Ag-rich rhodostannite. arsenopyrite and galena. Laminae of coiraite consist of extremely thin bent platy crystals up to 50 urn long. Electron microprobe analysis (n = 31) gave an empirical formula Pb11.21As2.99Ag0.13Fe1.10Sn6.13S28.0 close to the ideal formula (Pb11.3Sn2+1.2)Σ=12.5As3Fe2+Sn4+S28. Coiraite has two monoclinic sub-cells, Q (pseudotetragonal) and H (pseudohexagonal). Q: a 5.84(1) Å, b 5.86(1) Å, c 17.32(1) Å, β 94.14(1)°, F 590.05(3) Å3, Z = 4, a:b:c = 0.997:1:2.955; H (orthogonal setting): a 6.28(1) Å, b 3.66(1) Å, c 17.33(1) Å, β 91.46(1)°, V398.01(6) Å3, Z = 2, a∶b∶c = 1.716∶1∶4.735. The strongest Debye-Scherrer camera X-ray powder-diffraction lines [d in Å, (I), (hkl)] are: 5.78, (20), (Q and H 003); 4.34, (40), (Q 004); 3.46, (30), (Q and H 005); 3.339, (20), (Q 104); 2.876, (100), (Q and H 006); 2.068, (60), (Q 220).

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.

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.

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