The mineralogy of the historical Mochalin Log REE deposit, South Urals, Russia. Part III. Percleveite-(La), La2Si2O7, a new REE disilicate mineral

2020 ◽  
pp. 1-8
Author(s):  
Anatoly V. Kasatkin ◽  
Natalia V. Zubkova ◽  
Igor V. Pekov ◽  
Nikita V. Chukanov ◽  
Radek Škoda ◽  
...  
Keyword(s):  
Crystal Structure ◽  
New Mineral ◽  
South Urals ◽  
X Ray Diffraction ◽  
Chelyabinsk Oblast ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Light Yellow ◽  
Mohs Hardness

Abstract The new mineral percleveite-(La) (IMA2019–037), ideally La2Si2O7, was found in polymineralic nodules of the Mochalin Log REE deposit, Chelyabinsk Oblast, South Urals, Russia. It is associated with allanite-(Ce), allanite-(La), bastnäsite-(Ce), bastnäsite-(La), ferriallanite-(Ce), ferriallanite-(La), ferriperbøeite-(Ce), ferriperbøeite-(La), fluorbritholite-(Ce), hydroxylbastnäsite-(Ce), perbøeite-(Ce), perbøeite-(La), törnebohmite-(Ce) and törnebohmite-(La). Percleveite-(La) occurs as isolated anhedral grains commonly up to 0.2 mm × 0.4 mm and very rarely up to 1 mm × 1 mm. The new mineral is transparent with greasy lustre. The mineral is very pale yellow to colourless in thin fragments to light yellow in aggregates. It is brittle, with imperfect {001} cleavage and an uneven fracture. Mohs’ hardness is ca. 6. Dcalc = 5.094 g cm–3. Under the microscope, percleveite-(La) is non-pleochroic, optically uniaxial (+), ω = 1.825(10) and ɛ = 1.835(10). The Raman spectrum is given. Chemical data (wt.%, electron-microprobe) are: La2O3 36.80, Ce2O3 31.22, Pr2O3 1.57, Nd2O3 2.96, SiO2 26.73, total 99.28. The empirical formula based on 7 O apfu is (La1.02Ce0.86Nd0.08Pr0.04)Σ2.00Si2.00O7. Percleveite-(La) is tetragonal, P41; the unit-cell parameters are: a = 6.8482(3), c = 24.8550(13) Å, V = 1165.64(11) Å3 and Z = 8. The strongest reflections in the powder X-ray diffraction pattern [d, Å(I)(hkl)] are: 4.194(18)(113), 3.564(16)(106), 3.349(16)(201,202), 3.157(100)(203,116,008), 3.043(22)(211), 2.934(39)(122), 2.893(29)(213) and 2.864(21)(117). The crystal structure of percleveite-(La) is solved from the single-crystal X-ray diffraction data [R = 0.0617 for 2831 unique reflections with I > 2σ(I)]. The new mineral is named as an analogue of percleveite-(Ce) with La predominance over the rare-earth elements.

scholarly journals Na-dominant (at the M2 site) eudialyte analogue: crystal structure and indicatory significance

2020 ◽  
Vol 9 ◽  
pp. 19-25
Author(s):  
R. K. Rastsvetaeva ◽  
◽  
N. V. Chukanov ◽  
Ch. Schäfer ◽  
Keyword(s):  
Crystal Structure ◽  
Electron Probe ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Eudialyte Group ◽  
X Ray ◽  
Cell Parameters ◽  
Atomic Displacements ◽  
Alkaline Massif

Minerals of the eudialyte group from ultra-agpaitic associations are often characterized by high contents (up to the dominance) of sodium at the M2 site, which is populated with iron in eudialyte. The features of blocky isomorphism with the replacement of IVFe2+ by IVNa and VNa at the M2 micro-region are discussed. Using the methods of electron probe microanalysis, X-ray diffraction and IR spectroscopy, a potentially new mineral, M2Na-dominant analogue of eudialyte from the Ilimaussaq alkaline massif (Greenland), was investigated. Its crystal structure was refined to R = 5.6 % in the anisotropic approximation of atomic displacements using 1095 independent reflections with F > 3(F). The unit-cell parameters are: a = 14.208(1), c = 30.438(1) Å, V = 5321(1) Å3; the space group is R-3m. The idealized formula of the mineral is (Z = 3): (Na,H3O)15Ca6Zr3[Na2Fe][Si26O72](OH)2Cl∙2H2O.

New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. VIII. Arsenowagnerite, Mg2(AsO4)F

2018 ◽  
Vol 82 (4) ◽  
pp. 877-888 ◽  
Author(s):  
Igor V. Pekov ◽  
Natalia V. Zubkova ◽  
Atali A. Agakhanov ◽  
Vasiliy O. Yapaskurt ◽  
Nikita V. Chukanov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Scoria Cone ◽  
New Mineral ◽  
Lemon Yellow ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Light Yellow ◽  
Tolbachik Volcano ◽  
Mohs Hardness

ABSTRACTA new mineral arsenowagnerite, Mg2(AsO4)F, the arsenate analogue of wagnerite, was found in sublimates of the Arsenatnaya fumarole at the Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. It is associated closely with johillerite, tilasite, anhydrite, hematite, fluorophlogopite, cassiterite, calciojohillerite, aphthitalite and fluoborite. Arsenowagnerite occurs as equant to tabular crystals up to 1 mm across combined in interrupted crusts up to 0.1 cm × 1.5 cm × 3 cm. The mineral is transparent, light yellow, lemon-yellow, greenish-yellow or colourless and has a vitreous lustre. Arsenowagnerite is brittle, with Mohs hardness of ~5. Cleavage is distinct, the fracture is uneven. Dcalc = 3.70 g cm–3. Arsenowagnerite is optically biaxial (+), α = 1.614(2), β = 1.615(2), γ = 1.640(2) and 2Vmeas = 25(5)°. Wavenumbers of the strongest absorption bands in the IR spectrum (cm–1) are: 874, 861, 507, 491 and 470. The chemical composition (average of six electron-microprobe analyses, wt.%) is: MgO 38.72, CaO 0.23, MnO 0.32, CuO 0.60, ZnO 0.05, Fe2O3 0.11, TiO2 0.03, SiO2 0.08, P2O5 0.18, V2O5 0.03, As2O5 54.96, SO3 0.10, F 8.91 and –O=F –3.75, total 100.57. The empirical formula calculated on the basis of 5 (O + F) apfu is: (Mg1.98Cu0.02Mn0.01Ca0.01)Σ2.02(As0.99P0.01)Σ1.00O4.03F0.97. Arsenowagnerite is monoclinic, P21/c, a = 9.8638(3), b = 12.9830(3), c = 12.3284(3) Å, β = 109.291(3)°, V = 1490.15(7) Å3 and Z = 16. The strongest reflections of the powder X-ray diffraction pattern [d,Å(I)(hkl)] are: 5.80(41)(002), 5.31(35)(120), 3.916(37)($\bar 2$21), 3.339(98)(221, 023), 3.155(65)(202), 3.043(100)($\bar 1$41), 2.940(72)($\bar 2$04), 2.879(34)($\bar 3$22) and 2.787(51)(320, $\bar 1$24). The crystal structure was solved from single-crystal X-ray diffraction data, R = 0.0485. Arsenowagnerite is isostructural to wagnerite-Ma2bc. The crystal structure is built by almost regular AsO4 tetrahedra, distorted MgO4F2 octahedra and distorted MgO4F trigonal bipyramids.

Tavagnascoite, Bi4O4(SO4)(OH)2, a new oxyhydroxy bismuth sulfate related to klebelsbergite

2016 ◽  
Vol 80 (4) ◽  
pp. 647-657 ◽  
Author(s):  
Luca Bindi ◽  
Cristian Biagioni ◽  
Bruno Martini ◽  
Adrio Salvetti ◽  
Giovanni Dalla Fontana ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
New Mineral ◽  
Chemical Formula ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Rounding Errors ◽  
X Ray ◽  
Cell Parameters ◽  
Ore District

AbstractThe new mineral tavagnascoite, Bi4O4(SO4)(OH)2, was discovered in the Pb-Bi-Zn-As-Fe-Cu ore district of Tavagnasco, Turin, Piedmont, Italy. It occurs as blocky, colourless crystals, up to 40 μm in size, with a silky lustre. In the specimen studied, tavagnascoite is associated with other uncharacterized secondary Bi-minerals originating from the alteration of a bismuthinite ± Bi-sulfosalt assemblage. Electron microprobe analyses gave (average of three spot analyses, wt.%) Bi2O385.32, Sb2O30.58, PbO 2.18, SO38.46, H2Ocalc1.77, sum 98.31. On the basis of 10 O apfu, the chemical formula is (Bi3.74Pb0.10Sb0.04)∑ = 3.88O3.68(SO4)1.08(OH)2, with rounding errors. Main calculated diffraction lines are [din Å (relative intensity)hkl] 6.39 (29) 012, 4.95 (19) 111,4.019(32)121,3.604(28)014 and 3.213(100)123. Unit-cell parameters area= 5.831(1),b= 11.925(2),c= 15.123(1) Å,V= 1051.6(3) Å3, Z = 4, space groupPca21. The crystal structure was solved and refined from single-crystal X-ray diffraction data toR1= 0.037 on the basis of 1269 observed reflections. It consists of Bi–O polyhedra and SO4tetrahedra. Bismuth polyhedra are connected each to other to form Bi–O sheets parallel to (001). Successive sheets are linked together by SO4groups and hydrogen bonds. Tavagnascoite is the Bi-analogue of klebelsbergite, Sb4O4(SO4)(OH)2, and it is the fifth natural known bismuth sulfate without additional cations. The mineral and its name have been approved by the IMA CNMNC (2014-099).

Oxyplumboroméite, Pb2Sb2O7, a new mineral species of the pyrochlore supergroup from Harstigen mine, Värmland, Sweden

2013 ◽  
Vol 77 (7) ◽  
pp. 2931-2939 ◽  
Author(s):  
U. Hålenius ◽  
F. Bosi
Keyword(s):  
Crystal Structure ◽  
Structure Refinement ◽  
New Mineral ◽  
Crystal Structure Refinement ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractOxyplumboroméite, Pb2Sb2O7, is a new mineral of the roméite group of the pyrochlore supergroup (IMA 2013-042). It is found together with calcite and leucophoenicite in fissure fillings in tephroite skarn at the Harstigen mine, Värmland, Sweden. The mineral occurs as yellow to brownish yellow rounded grains or imperfect octahedra. Oxyplumboroméite has a Mohs hardness of ∼5, a calculated density of 6.732 g/cm3 and is isotropic with a calculated refractive index of 2.061. Oxyplumboroméite is cubic, space group Fdm, with the unit-cell parameters a = 10.3783(6) Å, V = 1117.84(11) Å3 and Z = 8. The strongest five X-ray powder-diffraction lines [d in Å(I)(hkl)] are: 2.9915(100)(222), 2.5928(32)(400), 1.8332(48)(440), 1.5638(38)(622) and 1.1900(12)(662). The crystal structure of oxyplumboroméite was refined to an R1 index of 3.02% using 160 unique reflections collected with MoKα radiation. Electron microprobe analyses in combination with crystal-structure refinement, infrared, Mössbauer and electronic absorption spectroscopy resulted in the empirical formula A(Pb0.92Ca0.87Mn0.09Sr0.01Na0.05)Σ1.93B(Sb1.73Fe3+0.27)Σ2.00X+Y[O6.64(OH)0.03]Σ6.67. Oxyplumboroméite is the Pb analogue of oxycalcioroméite, ideally Ca2Sb2O7.

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 Nöggerathite-(Ce), (Ce,Ca)2Zr2(Nb,Ti)(Ti,Nb)2Fe2+O14, a New Zirconolite-Related Mineral from the Eifel Volcanic Region, Germany

Minerals ◽  
2018 ◽  
Vol 8 (10) ◽  
pp. 449 ◽  
Author(s):  
Nikita Chukanov ◽  
Natalia Zubkova ◽  
Sergey Britvin ◽  
Igor Pekov ◽  
Marina Vigasina ◽  
...  
Keyword(s):  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Vickers Hardness Number ◽  
X Ray ◽  
Cell Parameters ◽  
Registration Number ◽  
Mohs Hardness ◽  
The Mean ◽  
Academy Of Sciences

The new mineral nöggerathite-(Ce) was discovered in a sanidinite volcanic ejectum from the Laach Lake (Laacher See) paleovolcano in the Eifel region, Rhineland-Palatinate, Germany. Associated minerals are sanidine, dark mica, magnetite, baddeleyite, nosean, and a chevkinite-group mineral. Nöggerathite-(Ce) has a color that ranges from brown to deep brownish red, with adamantine luster; the streak is brownish red. It occurs in cavities of sanidinite and forms long prismatic crystals measuring up to 0.02 × 0.03 × 1.0 mm, with twins and random intergrowths. Its density calculated using the empirical formula is 5.332 g/cm3. The Vickers hardness number (VHN) is 615 kgf/mm2, which corresponds to a Mohs’ hardness of 5½. The mean refractive index calculated using the Gladstone–Dale equation is 2.267. The Raman spectrum shows the absence of hydrogen-bearing groups. The chemical composition (electron microprobe holotype/cotype in wt %) is as follows: CaO 5.45/5.29, MnO 4.19/4.16, FeO 7.63/6.62, Al2O3 0.27/0.59, Y2O3 0.00/0.90, La2O3 3.17/3.64, Ce2O3 11.48/11.22, Pr2O3 1.04/0.92, Nd2O3 2.18/2.46, ThO2 2.32/1.98, TiO2 17.78/18.69, ZrO2 27.01/27.69, Nb2O5 17.04/15.77, total 99.59/99.82, respectively. The empirical formulae based on 14 O atoms per formula unit (apfu) are: (Ce0.59La0.165Nd0.11Pr0.05)Σ0.915Ca0.82Th0.07Mn0.50Fe0.90Al0.045Zr1.86Ti1.88Nb1.07O14 (holotype), and (Ce0.57La0.19Nd0.12Pr0.05Y0.06)Σ0.99Ca0.79Th0.06Mn0.49Fe0.77Al0.10Zr1.89Ti1.96Nb1.00O14 (cotype). The simplified formula is (Ce,Ca)2Zr2(Nb,Ti)(Ti,Nb)2Fe2+O14. Nöggerathite-(Ce) is orthorhombic, of the space group Cmca. The unit cell parameters are: a = 7.2985(3), b = 14.1454(4), c = 10.1607(4) Å, and V = 1048.99(7) Å3. The crystal structure was solved using single-crystal X-ray diffraction data. Nöggerathite-(Ce) is an analogue of zirconolite-3O, ideally CaZrTi2O7, with Nb dominant over Ti in one of two octahedral sites and REE dominant over Ca in the eight-fold coordinated site. The strongest lines of the powder X-ray diffraction pattern (d, Å (I, %) (hkl)) are: 2.963 (91) (202), 2.903 (100) (042), 2.540 (39) (004), 1.823 (15) (400), 1.796 (51) (244), 1.543 (20) (442), and 1.519 (16) (282), respectively. The type material is deposited in the collections of the Fersman Mineralogical Museum of the Russian Academy of Sciences, Moscow, Russia (registration number 5123/1).

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.

X-ray powder diffraction data of LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites

2021 ◽  
pp. 1-6
Author(s):  
Mariana M. V. M. Souza ◽  
Alex Maza ◽  
Pablo V. Tuza
Keyword(s):  
Crystal Structure ◽  
Rietveld Method ◽  
Pechini Method ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Modified Pechini Method ◽  
Scanning Electron

In the present work, LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites were synthesized by the modified Pechini method. These materials were characterized using X-ray fluorescence, scanning electron microscopy, and powder X-ray diffraction coupled to the Rietveld method. The crystal structure of these materials is orthorhombic, with space group Pbnm (No 62). The unit-cell parameters are a = 5.535(5) Å, b = 5.527(3) Å, c = 7.819(7) Å, V = 239.2(3) Å3, for the LaNi0.5Ti0.45Co0.05O3, a = 5.538(6) Å, b = 5.528(4) Å, c = 7.825(10) Å, V = 239.5(4) Å3, for the LaNi0.45Co0.05Ti0.5O3, and a = 5.540(2) Å, b = 5.5334(15) Å, c = 7.834(3) Å, V = 240.2(1) Å3, for the LaNi0.5Ti0.5O3.

scholarly journals Crystal Structure Refinements of Four Monazite Samples from Different Localities

Minerals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1028 ◽  
Author(s):  
M. Mashrur Zaman ◽  
Sytle M. Antao
Keyword(s):  
Crystal Structure ◽  
Electron Probe ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Large Unit Cell ◽  
A Site

This study investigates the crystal chemistry of monazite (APO4, where A = Lanthanides = Ln, as well as Y, Th, U, Ca, and Pb) based on four samples from different localities using single-crystal X-ray diffraction and electron-probe microanalysis. The crystal structure of all four samples are well refined, as indicated by their refinement statistics. Relatively large unit-cell parameters (a = 6.7640(5), b = 6.9850(4), c = 6.4500(3) Å, β = 103.584(2)°, and V = 296.22(3) Å3) are obtained for a detrital monazite-Ce from Cox’s Bazar, Bangladesh. Sm-rich monazite from Gunnison County, Colorado, USA, has smaller unit-cell parameters (a = 6.7010(4), b = 6.9080(4), c = 6.4300(4) Å, β = 103.817(3)°, and V = 289.04(3) Å3). The a, b, and c unit-cell parameters vary linearly with the unit-cell volume, V. The change in the a parameter is large (0.2 Å) and is related to the type of cations occupying the A site. The average <A-O> distances vary linearly with V, whereas the average <P-O> distances are nearly constant because the PO4 group is a rigid tetrahedron.

Refinement of the crystal structure of sieleckiite and revision of its symmetry

2017 ◽  
Vol 81 (4) ◽  
pp. 917-922
Author(s):  
Peter Elliott
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Single Crystal ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Aluminium Phosphate ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Phosphate Mineral

AbstractThe crystal structure of the copper aluminium phosphate mineral sieleckiite, Cu3Al4(PO4)2 (OH)12·2H2O, from the Mt Oxide copper mine, Queensland, Australia was solved from single-crystal X-ray diffraction data utilizing synchrotron radiation. Sieleckiite has monoclinic rather than triclinic symmetry as previously reported and is space group C2/m with unit-cell parameters a = 11.711(2), b = 6.9233(14), c = 9.828(2) Å, β = 92.88(3)°, V = 795.8(3) Å3and Z = 2. The crystal structure, which has been refined to R1 = 0.0456 on the basis of 1186 unique reflections with Fo > 4σF, is a framework of corner-, edge- and face- sharing Cu and Al octahedra and PO4 tetrahedra.

Sign in / Sign up

Export Citation Format

Share Document