A new mineral, zincolibethenite, CuZnPO4OH, a stoichiometric species of specific site occupancy

2005 ◽  
Vol 69 (2) ◽  
pp. 145-153 ◽  
Author(s):  
R. S. W. Braithwaite ◽  
R. G. Pritchard ◽  
W. H. Paar ◽  
R. A. D. Pattrick
Keyword(s):  
Atmospheric Pressure ◽  
Site Occupancy ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Cation Site ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Jahn Teller

AbstractTiny green crystals from Kabwe, Zambia, associated with hopeite and tarbuttite (and probably first recorded in 1908 but never adequately characterized because of their scarcity) have been studied by X-ray diffraction, microchemical and electron probe microanalysis, infrared spectroscopy, and synthesis experiments. They are shown to be orthorhombic, stoichiometric CuZnPO4OH, of species rank, forming the end-member of a solid-solution series to libethenite, Cu2PO4OH, and are named zincolibethenite. The libethenite structure is unwilling to accommodate any more Zn substituting for Cu at atmospheric pressure, syntheses using Zn-rich solutions precipitating a mixture of zincolibethenite with hopeite, Zn3(PO4)2.4H2O. Single-crystal X-ray data confirm that the Cu(II) occupies the Jahn-Teller distorted 6-coordinate cation site in the libethenite lattice, and the Zn(II) occupies the 5-coordinate site. The space group of zincolibethenite is Pnnm, the same as that of libethenite, with unit-cell parameters a = 8.326, b = 8.260, c = 5.877 Å , V = 404.5 Å 3, Z = 4, calculated density = 3.972 g/cm3 (libethenite has a = 8.076, b = 8.407, c = 5.898 Å , V = 400.44 Å 3, Z = 4, calculated density = 3.965 g/cm3). Zincolibethenite is biaxial negative, with 2Vα(calc.) of 49°, r<v, and α = 1.660, β = 1.705, and γ = 1.715 The mineral is named for its relationship to libethenite.

Arrheniusite-(Ce), CaMg[(Ce7Y3)Ca5](SiO4)3(Si3B3O18)(AsO4)(BO3)F11, a New Member of the Vicanite Group, from the Östanmossa Mine, Norberg, Sweden

2021 ◽  
Author(s):  
Dan Holtstam ◽  
Luca Bindi ◽  
Paola Bonazzi ◽  
Hans-Jürgen Förster ◽  
Ulf B. Andersson
Keyword(s):  
Structure Refinement ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
Epma Data ◽  
X Ray ◽  
Cell Parameters ◽  
Greenish Yellow ◽  
The Ideal

ABSTRACT Arrheniusite-(Ce) is a new mineral (IMA 2019-086) from the Östanmossa mine, one of the Bastnäs-type deposits in the Bergslagen ore region, Sweden. It occurs in a metasomatic F-rich skarn, associated with dolomite, tremolite, talc, magnetite, calcite, pyrite, dollaseite-(Ce), parisite-(Ce), bastnäsite-(Ce), fluorbritholite-(Ce), and gadolinite-(Nd). Arrheniusite-(Ce) forms anhedral, greenish-yellow translucent grains, exceptionally up to 0.8 mm in diameter. It is optically uniaxial (–), with ω = 1.750(5), ε = 1.725(5), and non-pleochroic in thin section. The calculated density is 4.78(1) g/cm3. Arrheniusite-(Ce) is trigonal, space group R3m, with unit-cell parameters a = 10.8082(3) Å, c = 27.5196(9) Å, and V = 2784.07(14) Å3 for Z = 3. The crystal structure was refined from X-ray diffraction data to R1 = 3.85% for 2286 observed reflections [Fo &gt; 4σ(Fo)]. The empirical formula for the fragment used for the structural study, based on EPMA data and results from the structure refinement, is: (Ca0.65As3+0.35)Σ1(Mg0.57Fe2+0.30As5+0.10Al0.03)Σ1[(Ce2.24Nd2.13La0.86Gd0.74Sm0.71Pr0.37)Σ7.05(Y2.76Dy0.26Er0.11Tb0.08Tm0.01Ho0.04Yb0.01)Σ3.27Ca4.14]Σ14.46(SiO4)3[(Si3.26B2.74)Σ6O17.31F0.69][(As5+0.65Si0.22P0.13)Σ1O4](B0.77O3)F11; the ideal formula obtained is CaMg[(Ce7Y3)Ca5](SiO4)3(Si3B3O18)(AsO4)(BO3)F11. Arrheniusite-(Ce) belongs to the vicanite group of minerals and is distinct from other isostructural members mainly by having a Mg-dominant, octahedrally coordinated site (M6); it can be considered a Mg-As analog to hundholmenite-(Y). The threefold coordinated T5 site is partly occupied by B, like in laptevite-(Ce) and vicanite-(Ce). The mineral name honors C.A. Arrhenius (1757–1824), a Swedish officer and chemist, who first discovered gadolinite-(Y) from the famous Ytterby pegmatite quarry.

scholarly journals Structural Trends and Solid-Solutions Based on the Crystal Chemistry of Two Hausmannite (Mn3O4) Samples from the Kalahari Manganese Field

Minerals ◽  
2019 ◽  
Vol 9 (6) ◽  
pp. 343 ◽  
Author(s):  
Sytle M. Antao ◽  
Laura A. Cruickshank ◽  
Kaveer S. Hazrah
Keyword(s):  
Single Crystal ◽  
Crystal Chemistry ◽  
Structure Refinement ◽  
Site Occupancy ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Jahn Teller

The crystal chemistry of two hausmannite samples from the Kalahari manganese field (KMF), South Africa, was studied using electron-probe microanalysis (EPMA), single-crystal X-ray diffraction (SCXRD) for sample-a, and high-resolution powder X-ray diffraction (HRPXRD) for sample-b, and a synthetic Mn3O4 (97% purity) sample-c as a reference point. Hausmannite samples from the KMF were reported to be either magnetic or non-magnetic with a general formula AB2O4. The EPMA composition for sample-a is [Mn2+0.88Mg2+0.11Fe2+0.01]Σ1.00Mn3+2.00O4 compared to Mn2+Mn3+2O4 obtained by refinement. The single-crystal structure refinement in the tetragonal space group I41/amd gave R1 = 0.0215 for 669 independently observed reflections. The unit-cell parameters are a = b = 5.7556(6), c = 9.443(1) Å, and V = 312.80(7) Å3. The Jahn–Teller elongated Mn3+O6 octahedron of the M site consists of M–O × 4 = 1.9272(5), M–O × 2 = 2.2843(7), and an average <M–O>[6] = 2.0462(2) Å, whereas the Mn2+O4 tetrahedron of the T site has T–O × 4 = 2.0367(8) Å. The site occupancy factors (sof) are M(sof) = 1.0 Mn (fixed, thereafter) and T(sof) = 1.0008(2) Mn. The EPMA composition for sample-b is [Mn0.99Mg0.01](Mn1.52Fe0.48)O4. The Rietveld refinement gave R (F2) = 0.0368. The unit-cell parameters are a = b = 5.78144(1), c = 9.38346(3) Å, and V = 313.642(1) Å3. The octahedron has M–O × 4 = 1.9364(3), M–O × 2 = 2.2595(6), and average <M–O>[6] = 2.0441(2) Å, whereas T–O × 4 = 2.0438(5) Å. The refinement gave T(sof) = 0.820(9) Mn2+ + 0.180(9) Fe2+ and M(sof) = 0.940(5) Mn3+ + 0.060(5) Fe3+. Samples-a and -b are normal spinels with different amounts of substitutions at the M and T sites. The Jahn–Teller elongation, Δ(M–O), is smaller in sample-b because atom substitutions relieve strain compared to pure Mn3O4.

Twinning and incommensurate modulation in baumoite, Ba0.5[(UO2)3O8Mo2(OH)3](H2O)~3, the first natural Ba uranyl molybdate

2019 ◽  
Vol 83 (4) ◽  
pp. 507-514
Author(s):  
Peter Elliott ◽  
Jakub Plášil ◽  
Václav Petříček ◽  
Jiří Čejka ◽  
Luca Bindi
Keyword(s):  
South Australia ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Orange Yellow ◽  
Incommensurate Modulation ◽  
Mohs Hardness

ABSTRACTBaumoite, Ba0.5[(UO2)3O8Mo2(OH)3](H2O)~3, is a new mineral found near Radium Hill, South Australia, where it occurs in a granite matrix associated with baryte, metatorbernite, phurcalite and kaolinite. Baumoite forms thin crusts of yellow to orange–yellow tabular to prismatic crystals. The mineral is translucent with a vitreous lustre and pale yellow streak. Crystals are brittle, the fracture is uneven and show one excellent cleavage. The Mohs hardness is ~2½. The calculated density is 4.61 g/cm3. Optically, baumoite crystals are biaxial (–), with α = 1.716(4), β = 1.761(4), γ = 1.767(4) (white light); and 2Vcalc= 42.2°. Electron microprobe analyses gave the empirical formula Ba0.87Ca0.03Al0.04U2.97Mo2.02P0.03O22H11.99, based on 22 O atoms per formula unit. The eight strongest lines in the powder X-ray diffraction pattern are [dobsÅ (I) (hkl)]: 9.175(39)(12${\bar 1}$), 7.450(100)(020), 3.554(20)(221), 3.365(31)(004, 202), 3.255(31)(123, 30${\bar 2}$), 3.209(28)(12${\bar 4}$), 3.067(33)(30${\bar 3}$, 222, 32${\bar 2}$) and 2.977(20)(142). Single-crystal X-ray studies (R1= 5.85% for 1892 main reflections) indicate that baumoite is monoclinic, superspace groupX2/m(a0g)0swithX= (0,½,0,½), with unit-cell parameters:a= 9.8337(3),b= 15.0436(5),c= 14.2055(6) Å, β = 108.978(3)°,V= 1987.25(13) Å3andZ= 4. The crystal structure is twinned and incommensurately modulated and is based upon sheets of U6+and Mo6+polyhedra of unique topology. Four independent cationic sites partially occupied by Ba atoms are located between the sheets, together with H2O molecules.

scholarly journals Tazzoliite: a new mineral with a pyrochlore-related structure from the Euganei Hills, Padova, Italy

2012 ◽  
Vol 76 (4) ◽  
pp. 827-838 ◽  
Author(s):  
F. Cámara ◽  
F. Nestola ◽  
L. Bindi ◽  
A. Guastoni ◽  
F. Zorzi ◽  
...  
Keyword(s):  
Pyrochlore Structure ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
Calculated Density ◽  
Oh Groups ◽  
X Ray ◽  
Cell Parameters ◽  
Perfect Cleavage

AbstractTazzoliite, ideally Ba2CaSr0.5Na0.5Ti2Nb3SiO17[PO2(OH)2]0.5, is a new mineral (IMA 2011-018) from Monte delle Basse, Euganei Hills, Galzignano Terme, Padova, Italy. It occurs as lamellar pale orange crystals, which are typically a few m m thick and up to 0.4 mm long, closely associated with a diopsidic pyroxene and titanite. Tazzoliite is transparent. It has a white streak, a pearly lustre, is not fluorescent and has a hardness of 6 (Mohs' scale). The tenacity is brittle and the crystals have a perfect cleavage along {010}. The calculated density is 4.517 g cm–3. Tazzoliite is biaxial (–) with 2Vmeas of ~50º, it is not pleochroic and the average refractive index is 2.04. No twinning was observed. Electronmicroprobe analyses gave the following chemical formula: (Ba1.93Ca1.20Sr0.52Na0.25Fe0.102+)Σ4 (Nb2.88Ti2.05Ta0.07Zr0.01V0.015+)Σ5.02SiO17[(P0.13Si0.12S0.07)Σ0.32O0.66(OH)0.66][F0.09(OH)0.23]Σ0.32.Tazzoliite is orthorhombic, space group Fmmm, with unit-cell parameters a = 7.4116(3), b = 20.0632(8), c = 21.4402(8) Å, V = 3188.2(2) Å3 and Z = 8. The crystal structure, obtained from single-crystal X-ray diffraction data, was refined to R1(F2) = 0.063. It consists of a framework of Nb(Ti) octahedra and BaO7 polyhedra sharing apexes or edges, and Si tetrahedra sharing apexes with Nb(Ti) octahedra and BaO7 polyhedra. The structure, which is related to the pyrochlore structure, contains three Nb(Ti) octahedra: two are Nb dominant and one is Ti dominant. Chains of A2O8 polyhedra [A2 being occupied by Sr(Ca, Fe)] extend along [100] and are surrounded by Nb octahedra. Channels formed by six Nb(Ti) octahedra and two tetrahedra, or four A1O8(OH) polyhedra (A1 being occupied by Ba), alternate along [100]. The channels are partially occupied by [PO2(OH)2] in two possible mutually exclusive positions, alternating with fully occupied A3O7 polyhedral pairs [A3 being occupied by Ca(Na)]. The seven strongest X-ray powder diffraction lines [d in Å (I/I0) (hkl)] are: 3.66 (60) (044), 3.16 (30) (153), 3.05 (100) (204), 2.98 (25) (240), 2.84 (50) (064), 1.85 (25) (400) and 1.82 (25) (268). Raman spectra of tazzoliite were collected in the range 150–3700 cm–1 and confirm the presence of OH groups. Tazzoliite is named in honour of Vittorio Tazzoli in recognition of his contributions to the fields of mineralogy and crystallography.

Steinmetzite, Zn2Fe3+(PO4)2(OH)·3H2O, a new mineral formed from alteration of phosphophyllite at the Hagendorf Süd pegmatite, Bavaria

2017 ◽  
Vol 81 (2) ◽  
pp. 329-338
Author(s):  
I. E. Grey ◽  
E. Keck ◽  
A. R. Kampf ◽  
W. G. Mumme ◽  
C. M. Macrae ◽  
...  
Keyword(s):  
Refractive Indices ◽  
New Mineral ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Maximum Dimension ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Simplified Formula

AbstractSteinmetzite, ideally Zn2Fe3+(PO4)2(OH)·3H2O, is a new mineral from the Hagendorf-Süd pegmatite, Hagendorf, Oberpfalz, Bavaria, Germany. Steinmetzite was found in a highly oxidized zone of the Cornelia mine at Hagendorf-Süd. It has formed by alteration of phosphophyllite, involving oxidation of the iron and some replacement of Zn by Fe. Steinmetzite lamellae co-exist with an amorphous Fe-rich phosphate in pseudomorphed phosphophyllite crystals. The lamellae are only a few μm thick and with maximum dimension ∼50 μm. The phosphophyllite pseudomorphs have a milky opaque appearance, often with a glazed yellow to orange weathering rind and with lengths ranging from sub-mm to 1 cm. Associated minerals are albite, apatite, chalcophanite, jahnsite, mitridatite, muscovite, quartz and wilhelmgümbelite.Goethite and cryptomelane are also abundant in the oxidized zone. The calculated density is 2.96 g cm–3. Steinmetzite is biaxial (–) with measured refractive indices α = 1.642(2), β = 1.659 (calc.), γ = 1.660(2) (white light). 2V(meas) = 27(1)°; orientation is Y ≈ b, X ^c ≈ 27°, with crystals flattened on {010} and elongated on [001]. Pleochroism shows shades of pale brown; Y > X ≈ Z. Electron microprobe analyses (average of seven crystals) with Fe reported as Fe2O3 and with H2O calculated from the structure gave ZnO 31.1, MnO 1.7, CaO 0.5, Fe2O3 21.9, Al2O3 0.3, P2O5 32.9, H2O 14.1 wt.%, total 102.5%. The empirical formula based on 2 P and 12 O, with all iron as ferric and OH–adjusted for charge balance is Zn1.65Fe1.193+ Mn0.112+Ca0.03Al0.023+(PO4)2(OH)1.21·2.79H2O. The simplified formula is Zn2Fe3+(PO4)2(OH)·3H2O.Steinmetzite is triclinic, P1̄, with unit-cell parameters: a = 10.438(2), b = 5.102(1), c = 10.546(2) Å, α = 91.37(2), β = 115.93(2) and γ = 94.20(2)°. V = 502.7(3) Å3, Z = 2. The strongest lines in the powder X-ray diffraction pattern are [dobs in Å (I) (hkl)] 9.313(65) (100), 5.077(38) (010), 4.726(47) (002), 4.657(100) (200), 3.365 (55) (3̄02), 3.071(54) (11̄2) and 2.735(48) (3̄1̄2). The structure is related to that of phosphophyllite.

Tapiaite, Ca5Al2(AsO4)4(OH)4·12H2O, a new mineral from the Jote mine, Tierra Amarilla, Chile

2015 ◽  
Vol 79 (2) ◽  
pp. 345-354 ◽  
Author(s):  
Anthony R. Kampf ◽  
Stuart J. Mills ◽  
Barbara P. Nash ◽  
Maurizio Dini ◽  
Arturo A. Molina Donoso
Keyword(s):  
Empirical Formula ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Interlayer Region ◽  
Mohs Hardness ◽  
Thick Layers

AbstractTapiaite (IMA2014-024), Ca5Al2(AsO4)4(OH)4·12H2O, is a new mineral from the Jote mine, Tierra Amarilla, Copiapó Province, Atacama, Chile. The mineral is a late-stage, low-temperature, secondary mineral occurring with conichalcite, joteite, mansfieldite, pharmacoalumite, pharmacosiderite and scorodite in narrow seams and vughs in the oxidized upper portion of a hydrothermal sulfide vein hosted by volcanoclastic rocks. Crystals occur as colourless blades, flattened on {101} and elongated and striated along [010], up to ∼0.5 mm long, and exhibiting the forms {101}, {101} and {111}. The blades are commonly intergrown in subparallel bundles and less commonly in sprays. The mineral is transparent and has a white streak and vitreous lustre. The Mohs hardness is estimated to be between 2 and 3, the tenacity is brittle, and the fracture is splintery. It has two perfect cleavages on {101} and {101}. The calculated density based on the empirical formula is 2.681 g cm–3. It is optically biaxial (+) with α = 1.579(1), β = 1.588(1), γ = 1.610(1) (white light), 2Vmeas = 66(2)° and 2Vcalc = 66°. The mineral exhibits no dispersion. The optical orientation is X ≈ [101]; Y = b, Z ≈ [101]. The electron-microprobe analyses (average of five) provided: Na2O 0.09, CaO 24.96, CuO 0.73, Al2O3 10.08, Fe2O3 0.19, As2O5 40.98, Sb2O5 0.09, H2 O 23.46 (structure), total 100.58 wt.%. In terms of the structure, the empirical formula (based on 32 O a.p.f.u.) is (Ca4.83Cu0.102+Na0.03)Σ4.96(Al2.14Fe0.033+)Σ2.17[(As3.875+Sb0.015+)Σ3.88O16][(OH)3.76(H2O)0.24]Σ4(H2O)10·2H2O. The mineral is easily soluble in RT dilute HCl. Tapiaite is monoclinic, P21/n, with unit-cell parameters a = 16.016(1), b = 5.7781(3), c = 16.341(1) Å, β = 116.704(8)°, V = 1350.9(2) Å3 and Z = 2. The eight strongest lines in the powder X-ray diffraction pattern are [dobs Å(I)(hkl)]: 13.91(100)(101), 7.23(17)(200,002), 5.39(22)(110,011), 4.64(33)(112,211,303), 3.952(42)(113,311,213), 3.290(35)(214,412,114,411), 2.823(39)(303,315) and 2.753(15)(513,115,121,511). The structure of tapiaite (R1 = 5.37% for 1733 Fo > 4σF) contains Al(AsO4)(OH)2 chains of octahedra and tetrahedra that are topologically identical to the chain in the structure of linarite. CaO8 polyhedra condense to the chains, forming columns, which are decorated with additional peripheral AsO4 tetrahedra. The CaO8 polyhedra in adjacent columns link to one another by corner-sharing to form thick layers parallel to {101} and the peripheral AsO4 tetrahedra link to CaO6 octahedra in the interlayer region, resulting in a framework structure.

Kummerite, Mn2+Fe3+Al(PO4)2(OH)2·8H2O, a new laueite-group mineral from the Hagendorf Süd pegmatite, Bavaria, with ordering of Al and Fe3+

2016 ◽  
Vol 80 (7) ◽  
pp. 1243-1254 ◽  
Author(s):  
I. E. Grey ◽  
E. Keck ◽  
W. G. Mumme ◽  
A. Pring ◽  
C. M. Macrae ◽  
...  
Keyword(s):  
Electron Microprobe ◽  
Empirical Formula ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
Group Mineral ◽  
X Ray ◽  
Cell Parameters ◽  
Octahedral Sites ◽  
Phosphate Mineral

AbstractKummerite, ideally Mn2+Fe3+A1(PO4)2(OH)2.8H2O, is a new secondary phosphate mineral belonging to the laueite group, from the Hagendorf-Süd pegmatite, Hagendorf, Oberpfalz, Bavaria, Germany. Kummerite occurs as sprays or rounded aggregates of very thin, typically deformed, amber yellow laths. Cleavage is good parallel to ﹛010﹜. The mineral is associated closely with green Zn- and Al-bearing beraunite needles. Other associated minerals are jahnsite-(CaMnMn) and Al-bearing frondelite. The calculated density of kummerite is 2.34 g cm 3. It is optically biaxial (-), α= 1.565(5), β = 1.600(5) and y = 1.630(5), with weak dispersion. Pleochroism is weak, with amber yellow tones. Electron microprobe analyses (average of 13 grains) with H2O and FeO/Fe2O3 calculated on structural grounds and normalized to 100%, gave Fe2O3 17.2, FeO 4.8, MnO 5.4, MgO 2.2, ZnO 0.5, Al2O3 9.8, P2O5 27.6, H2O 32.5, total 100 wt.%. The empirical formula, based on 3 metal apfu is (Mn2+0.37Mg0.27Zn0.03Fe2+0.33)Σ1.00(Fe3+1.06Al0. 94)Σ2.00PO4)1.91(OH)2.27(H2O)7.73. Kummerite is triclinic, P1̄, with the unit-cell parameters of a = 5.316(1) Å, b =10.620(3) Å , c = 7.118(1) Å, α = 107.33(3)°, β= 111.22(3)°, γ = 72.22(2)° and V= 348.4(2) Å3. The strongest lines in the powder X-ray diffraction pattern are [dobs in Å(I) (hkl)] 9.885 (100) (010); 6.476 (20) (001); 4.942 (30) (020); 3.988 (9) (̄110); 3.116 (18) (1̄20); 2.873 (11) (1̄21). Kummerite is isostructural with laueite, but differs in having Al and Fe3+ ordered into alternate octahedral sites in the 7.1 Å trans-connected octahedral chains.

Discovery of Se-rich canfieldite, Ag8Sn(S,Se)6, from the Shuangjianzishan Ag–Pb–Zn deposit, NE China: A multimethodic chemical and structural study

2018 ◽  
Vol 83 (03) ◽  
pp. 419-426 ◽  
Author(s):  
Degao Zhai ◽  
Luca Bindi ◽  
Panagiotis C. Voudouris ◽  
Jiajun Liu ◽  
Stylianos F. Tombros ◽  
...  
Keyword(s):  
Site Occupancy ◽  
Integrated Approach ◽  
X Ray Diffraction ◽  
Ne China ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Ore Bodies ◽  
Vein Type ◽  
Ore Minerals

AbstractDuring a study of the ore minerals belonging to the recently discovered Shuangjianzishan Ag–Pb–Zn deposit in NE China, we have discovered exceptional selenium enrichment in canfieldite (up to 11.6 wt.% of Se). Incorporation of Se into canfieldite has been investigated by an integrated approach using field emission scanning electron microscopy, electron microprobe and single-crystal X-ray diffraction. Canfieldite has been identified as one of the dominant Ag-bearing ore minerals in the studied deposit, which occurs mostly in slate-hosted vein type Ag–Pb–Zn ore bodies. Selenium is either homogeneously or, remarkably, heterogeneously distributed in the different canfieldite fragments studied. Chemical variations of Se are mostly attributable to a series of retrograde reactions resulting in diverse decomposition and exsolution of primary phases during cooling, or alternatively, related to influxes of Se-rich fluids during the formation of canfieldite. To evaluate the effects of the Se-for-S substitution in the structure, a crystal of Se-rich canfieldite [Ag7.98Sn1.02(S4.19Se1.81)Σ6.00] was investigated. The unit-cell parameters are: a = 10.8145(8) Å and V = 1264.8(3) Å3. The structure was refined in the space group F$\bar{4}$3m to R1 = 0.0315 for 194 independent reflections, with 20 parameters. The crystal structure of Se-rich canfieldite was found to be topologically identical to that of pure canfieldite. If the short Ag–Ag contacts are ignored (due to the disorder), the two Ag atoms in the structure can be considered as three-fold (Ag1) and four-fold (Ag2) coordinated. Tin adopts a regular tetrahedral coordination. As in the case of Te-rich canfieldite, the refinement of the site-occupancy factor indicates that Se is disordered over the three anion positions.

scholarly journals Bosoite, a new silica clathrate mineral from Chiba Prefecture, Japan

2020 ◽  
pp. 1-8
Author(s):  
Koichi Momma ◽  
Takuji Ikeda ◽  
Toshiro Nagase ◽  
Takahiro Kuribayashi ◽  
Chibune Honma ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Sedimentary Rocks ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Average Model ◽  
Guest Molecules ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Chiba Prefecture

Abstract Bosoite (IMA2014-023) is a new silica clathrate mineral containing hydrocarbon molecules in its crystal structure. Bosoite can be considered structurally as a silica analogue of the structure-H gas hydrate, where guest molecules are trapped in cage-like voids constructed of the host framework. The mineral occurs in the Miocene tuffaceous sedimentary rocks at Arakawa, Minami-boso City, Chiba Prefecture, Japan. Bosoite is hexagonal, and it crystallises as an epitaxial intergrowth on chibaite crystals, with the {0001} of bosoite parallel to octahedral {111} form of chibaite. Crystals are colourless and transparent with vitreous lustre. The calculated density is 2.04 g/cm3. The empirical formula (based on 2 O apfu and guest molecules assumed as CH4) is Na0.01(Si0.98Al0.02)Σ1.00O2⋅0.50CH4; the end-member formula is SiO2⋅nC x H2x+2. Bosoite has the space group P6/mmm, with the unit-cell parameters a = 13.9020(3) Å, c = 11.2802(2) Å, V = 1887.99(6) Å3 and Z = 34. The crystal structure of bosoite was refined by single-crystal X-ray diffraction and converged to R1 = 4.26% for the average model and R1 = 2.96% for the model where all oxygen sites are split.

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.

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