Schmidite and wildenauerite, two new schoonerite-group minerals from the Hagendorf-Süd pegmatite, Oberpfalz, Bavaria

2018 ◽  
Vol 83 (02) ◽  
pp. 181-190
Author(s):  
Ian E. Grey ◽  
Erich Keck ◽  
Anthony R. Kampf ◽  
John D. Cashion ◽  
Colin M. MacRae ◽  
...  
Keyword(s):  
Thermal Analysis ◽  
Tetrahedral Site ◽  
Orthorhombic Symmetry ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Symmetry Space ◽  
Symmetry Space Group

AbstractSchmidite, Zn(Fe3+0.5Mn2+0.5)2ZnFe3+(PO4)3(OH)3(H2O)8 and wildenauerite, Zn(Fe3+0.5Mn2+0.5)2Mn2+Fe3+(PO4)3(OH)3(H2O)8 are two new oxidised schoonerite-group minerals from the Hagendorf-Süd pegmatite, Hagendorf, Oberpfalz, Bavaria, Germany. Schmidite occurs as radiating sprays of orange–brown to copper-red laths on and near to altered phosphophyllite in a corroded triphylite nodule, whereas wildenauerite forms dense compacts of red laths, terminating Zn-bearing rockbridgeite. The minerals are biaxial (+) with α = 1.642(2), β = 1.680(1), γ = 1.735(2) and 2Vmeas = 81.4(8)° for schmidite, and with α = 1.659(3), β = 1.687(3), γ = 1.742(3) and 2Vmeas = 73(1)° for wildenauerite. Electron microprobe analyses, with H2O from thermal analysis and FeO/Fe2O3 from Mössbauer spectroscopy, gave FeO 0.4, MgO 0.3, Fe2O3 23.5, MnO 9.0, ZnO 15.5, P2O5 27.6, H2O 23.3, total 99.6 wt.% for schmidite, and FeO 0.7, MgO 0.3, Fe2O3 25.2, MnO 10.7, ZnO 11.5, P2O5 27.2, H2O 24.5, total 100.1 wt.% for wildenauerite. The empirical formulae, scaled to 3 P and with OH– adjusted for charge balance are Zn1.47Mn2+0.98Mg0.05Fe2+0.04Fe3+2.27(PO4)3(OH)2.89(H2O)8.54 for schmidite and Zn1.11Mn2+1.18Mg0.05Fe2+0.08Fe3+2.47(PO4)3(OH)3.25(H2O)9.03 for wildenauerite. The two minerals have orthorhombic symmetry, space group Pmab and Z = 4. The unit-cell parameters from refinement of powder X-ray diffraction data are a = 11.059(1), b = 25.452(1) and c = 6.427(1) Å for schmidite, and a = 11.082(1), b = 25.498(2) and c = 6.436(1) Å for wildenauerite. The crystal structures of schmidite and wildenauerite differ from that of schoonerite in having minor partitioning of Zn from the [5]Zn site to an adjacent vacant tetrahedral site [4]Zn, separated by ~1.0 Å from [5]Zn. The two minerals are distinguished by the cation occupancies in the octahedral M1 to M3 sites. Schmidite has M1 = M2 = (Fe3+0.5Mn2+0.5) and M3 = Zn and wildenauerite has M1 = M2 = (Fe3+0.5Mn2+0.5) and M3 = Mn2+.

Wilhelmgümbelite, [ZnFe2+Fe33+(PO4)3(OH)4(H2O)5]·2H2O, a new schoonerite-related mineral from the Hagendorf Süd pegmatite, Bavaria

2017 ◽  
Vol 81 (2) ◽  
pp. 287-296 ◽  
Author(s):  
I. E. Grey ◽  
E. Keck ◽  
A. R. Kampf ◽  
C. M. Macrae ◽  
A. M. Glenn ◽  
...  
Keyword(s):  
Structural Formula ◽  
Orthorhombic Symmetry ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Light Yellow ◽  
Phosphate Mineral

AbstractWilhelmgümbelite, ideally [ZnFe2+Fe33+(PO4)3(OH)4(H2O)5]·2H2O, is a new secondary phosphate mineral related closely to schoonerite, [ZnMnFe22+Fe3+(PO4)3(OH)2(H2O)7]·2H2O, from oxidized zones of the Hagendorf-Süd pegmatite, Hagendorf, Oberpfalz, Bavaria, Germany. Wilhelmgümbelite occurs as radiating sprays of needle-like rectangular laths, up to 0.2 mm long and with colour varying from light yellow brown to orange red. Cleavage is perfect parallel to {010}. The mineral is associated closely with an oxidized pseudomorph of phosphophyllite, recently named steinmetzite. Other associated minerals are albite, apatite, chalcophanite, jahnsite, mitridatite, muscovite and quartz. The calculated density of wilhelmgümbelite is 2.82 g cm–3. It is optically biaxial (+) with α = 1.560(2), β = 1.669(2), γ = 1.718(2), 2V(meas) = 63(1)° and 2V(calc.) = 65°. Dispersion is weak with r > v, orientation X = b, Y = c, Z = a. Pleochroism is weak, with coloursZ = orange brown, Y = yellow brown, X = light yellow brown, Z >> Y > X. Electron microprobe analyses (average of seven analyses, seven crystals) with H2O and FeO/Fe2O3 calculated on structural grounds, gave FeO 5.8, Fe2O3 25.0, MnO 2.6, ZnO 16.4, P2O5 28.7, H2O 23.4, total 101.9 wt.%. The empirical formula, scaled to 3 P and OH– adjusted for charge balance is Zn1.50Mn0.272+Fe0.602+Fe2.333+(PO4)3·(OH)2.73(H2O)8.27. The structural formula is [Zn(Mn0.27Fe0.733+)∑1.0(Zn0.25Fe0.152+Fe0.603+)∑1.0(Zn0.25Fe0.452+)∑0.7Fe3+(PO4)3(OH,H2O)9]·2H2O.Wilhelmgümbelite has orthorhombic symmetry, Pmab, Z = 4, with the unit-cell parameters of a = 10.987(7) Å, b = 25.378(13) Å, c = 6.387(6) Å and V = 1781(2) Å3. The strongest lines in the powder X-ray diffraction pattern are [dobs in Å(Iobs) (hkl)] 12.65 (100) (020); 8.339 (5) (120); 6.421 (14) (001); 6.228 (8) (011); 4.223 (30) (120) and 2.111 (7) (0 12 0). Wilhelmgümbelite is an oxidized form of schoonerite, with the Mn2+ replaced principally by Fe3+. Its structure differs from that of schoonerite in having the Zn partitioned between two different sites, one five-coordinated as in schoonerite and the other tetrahedrally coordinated. Wilhelmgümbelite also differs structurally from schoonerite in having partial occupation of one of the Fe sites, which appears to be correlated with the Zn partitioning.

scholarly journals Bulachite, [Al6(AsO4)3(OH)9(H2O)4]⋅2H2O from Cap Garonne, France: Crystal structure and formation from a higher hydrate

2020 ◽  
Vol 84 (4) ◽  
pp. 608-615
Author(s):  
Ian E. Grey ◽  
Emre Yoruk ◽  
Stéphanie Kodjikian ◽  
Holger Klein ◽  
Catherine Bougerol ◽  
...  
Keyword(s):  
Unit Cell ◽  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Different Temperatures ◽  
Using Data ◽  
Hydrated Aluminium

AbstractBulachite specimens from Cap Garonne, France, comprise two intimately mixed hydrated aluminium arsenate minerals with the same Al:As ratio of 2:1 and with different water contents. The crystal structures of both minerals have been solved using data from low-dose electron diffraction tomography combined with synchrotron powder X-ray diffraction. One of the minerals has the same powder X-ray diffraction pattern (PXRD) as for published bulachite. It has orthorhombic symmetry, space group Pnma with unit-cell parameters a = 15.3994(3), b = 17.6598(3), c = 7.8083(1) Å and Z = 4, with the formula [Al6(AsO4)3(OH)9(H2O)4]⋅2H2O. The second mineral is a higher hydrate with composition [Al6(AsO4)3(OH)9(H2O)4]⋅8H2O. It has the same Pnma space group and unit-cell parameters a = 19.855(4), b = 17.6933(11) and c = 7.7799(5) Å i.e. almost the same b and c parameters but a much larger a parameter. The structures are based on polyhedral layers, parallel to (100), of composition [Al6(AsO4)3(OH)9(H2O)4] and with H-bonded H2O between the layers. The layers contain [001] spiral chains of edge-shared octahedra, decorated with corner connected AsO4 tetrahedra that are the same as in the mineral liskeardite. The spiral chains are joined together by octahedral edge-sharing to form layers parallel to (100). Synchrotron PXRD patterns collected at different temperatures during heating of the specimen show that the higher-hydrate mineral starts transforming to bulachite when heated to 50°C, and the transformation is complete between 75 and 100°C.

scholarly journals X-ray powder diffraction analysis of a silver(I) cyclamate complex

2007 ◽  
Vol 22 (1) ◽  
pp. 68-70
Author(s):  
R. Putvinskis ◽  
C. O. Paiva Santos ◽  
M. Cavicchioli ◽  
A. C. Massabni
Keyword(s):  
Powder Diffraction ◽  
Powder Diffraction Data ◽  
Stoichiometric Mixture ◽  
Unit Cell Parameters ◽  
Monoclinic Symmetry ◽  
X Ray ◽  
Cell Parameters ◽  
Sodium Cyclamate ◽  
Symmetry Space ◽  
Symmetry Space Group

X-ray powder diffraction data collected for the complex silver(I) cyclamate [Ag(C6H12NO3S)] are reported. This material was obtained from a stoichiometric mixture of sodium cyclamate and AgNO3. The analysis of the data using the Le Bail method showed that the complex has monoclinic symmetry (space group C2/c). The unit cell parameters are a=31.85852(16) Å, b=6.25257(6) Å, c=8.46165(7) Å, and β=95.7651(5)°.

The mineralogy of the historical Mochalin Log REE deposit, South Urals, Russia. Part II. Radekškodaite-(La), (CaLa5)(Al4Fe2+)[Si2O7][SiO4]5O(OH)3 and radekškodaite-(Ce), (CaCe5)(Al4Fe2+)[Si2O7][SiO4]5O(OH)3, two new minerals with a novel structure-type belonging to the epidote–törnebohmite polysomatic series

2020 ◽  
pp. 1-15
Author(s):  
Anatoly V. Kasatkin ◽  
Natalia V. Zubkova ◽  
Igor V. Pekov ◽  
Nikita V. Chukanov ◽  
Dmitriy A. Ksenofontov ◽  
...  
Keyword(s):  
Czech Republic ◽  
Structure Type ◽  
Associate Professor ◽  
South Urals ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Novel Structure

Abstract Two new isostructural minerals radekškodaite-(La) (CaLa5)(Al4Fe2+)[Si2O7][SiO4]5O(OH)3 and radekškodaite-(Ce) (CaCe5)(Al4Fe2+)[Si2O7][SiO4]5O(OH)3 were discovered in polymineralic nodules from the Mochalin Log REE deposit, South Urals, Russia. Radekškodaite-(La) is associated with allanite-(Ce), allanite-(La), bastnäsite-(Ce), bastnäsite-(La), ferriallanite-(Ce), ferriallanite-(La), ferriperbøeite-(La), fluorbritholite-(Ce), törnebohmite-(Ce) and törnebohmite-(La). Radekškodaite-(Ce) is associated with ancylite-(Ce), bastnäsite-(Ce), bastnäsite-(La), lanthanite-(La), perbøeite-(Ce) and törnebohmite-(Ce). The new minerals form isolated anhedral grains up to 0.35 × 0.75 mm [radekškodaite-(La)] and 1 mm × 2 mm [radekškodaite-(Ce)]. Both minerals are greenish-brown with vitreous lustre. Dcalc = 4.644 [radekškodaite-(La)] and 4.651 [radekškodaite-(Ce)] g cm–3. Both minerals are optically biaxial (+); radekškodaite-(La): α = 1.790(7), β = 1.798(5), γ = 1.825(8) and 2Vmeas = 60(10)°; radekškodaite-(Ce): α = 1.798(6), β = 1.806(6), γ = 1.833(8) and 2Vmeas = 65(10)°. Chemical data [wt.%, electron-microprobe; FeO:Fe2O3 by charge balance; H2O by stochiometry; radekškodaite-(La)/radekškodaite-(Ce)] are: CaO 3.40/2.74, La2O3 27.68/22.23, Ce2O3 20.39/24.30, Pr2O3 0.94/1.48, Nd2O3 1.71/3.18, ThO2 0.23/0.24, MgO 0.85/1.04, Al2O3 10.35/10.84, MnO 0.64/0.69, FeO 2.55/2.76, Fe2O3 3.12/2.57, TiO2 0.13/0.04, SiO2 26.03/26.10, F 0.10/0.09, H2O 1.62/1.63, –O=F –0.04/–0.04, total 99.70/99.89. The empirical formulae based on O28(OH,F)3 are: radekškodaite-(La): (Ca0.98Th0.01La2.75Ce2.01Nd0.16Pr0.09)Σ6.00(Al3.28Fe3+0.63Fe2+0.57Mg0.34Mn0.15Ti0.03)Σ5.00Si7.00O28[(OH)2.91F0.09]; radekškodaite-(Ce): (Ca0.79Mn0.16Th0.01Ce2.39La2.20Nd0.30Pr0.14)Σ5.99(Al3.43Fe2+0.62Fe3+0.52Mg0.42Ti0.01)Σ5.00Si7.00O28[(OH)2.92F0.08]. Both minerals are monoclinic, P21/m; the unit-cell parameters [radekškodaite-(La)/radekškodaite-(Ce)] are: a = 8.9604(3)/8.9702(4), b = 5.7268(2)/5.7044(2), c = 25.1128(10)/25.1642(13) Å, β = 116.627(5)/116.766(6)°, V = 1151.98(7)/1149.68(11) Å3 and Z = 2/2. The crystal structures are solved based on single-crystal X-ray diffraction data; R = 0.0554 [radekškodaite-(La)] and 0.0769 [radekškodaite-(Ce)]. Both minerals belong to the epidote–törnebohmite polysomatic series and represent first members of ET2-type: their structure consists of regular alternating modules, one slab of the epidote (E) structure and two slabs of törnebohmite (T). The rootname radekškodaite is given in honor of the Czech mineralogist Radek Škoda (born 1979), Associate Professor at Masaryk University, Brno, Czech Republic. The suffix-modifier -(La) or -(Ce) indicates the predominance of La or Ce among REE in the mineral.

Zur Kristallchemie des ersten Blei-Zink-Silicium-Telluroxids: PbZn4SiTeO10 / On the Crystal Chemistry of the First Lead Zinc Silicon Tellurium Oxyde PbZn4SiTeO10

1999 ◽  
Vol 54 (4) ◽  
pp. 469-472 ◽  
Author(s):  
B. Wedel ◽  
K. Sugiyama ◽  
K. Hiraga ◽  
K. Itagaki
Keyword(s):  
Negative Charge ◽  
Lattice Energy ◽  
Orthorhombic Symmetry ◽  
X Ray ◽  
Cell Parameters ◽  
Coulomb Term ◽  
Lead Zinc ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of the new lead zinc silicon tellurium oxide PbZn4SiTeO10 have been prepared by solid state reaction in air. The compound is colourless and crystallizes in orthorhombic symmetry, space group D162h Pnma, with the cell parameters: a = 6.542 (5), b = 15.624(4), c = 8.280(4) Å, Z = 4. The structure has been determined from a single crystal X-ray study and refined to the conventional values R = 0.032 and wR(F2) = 0.050. Zn2+ and Si4+ show tetrahedral and Te6+ octahedral coordination by O2-.The crystal structure is dominated by a 3∞ [Zn4O10]12- framework with isolated TeO66+ and SiO44+ polyhedra. Pb2+ ions are incorporated in the network. The centres of negative charge of the lone pairs of Pb2+ are estimated by calculations of the Coulomb term of the lattice energy

Synthese und röntgenographische Charakterisierung von zwei neuen Verbindungen des Ludwigit-Strukturtyps: Co5Sn(BO3)2O4 und Co5Mn(BO3 )2O4/Synthesis and X -Ray Characterization of Two New Compounds with Ludwigite-Structure: Co5Sn(BO3)2O4 and Co5Mn(BO3)2O4

1996 ◽  
Vol 51 (3) ◽  
pp. 305-308 ◽  
Author(s):  
Anne Utzolino ◽  
Karsten Bluhm
Keyword(s):  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxygen Coordination ◽  
New Compounds ◽  
Octahedral Oxygen ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract The compounds Co5Sn(BO3)2O4 (I) and Co5Mn(BO3)2O4 (II) were prepared by using a B2O3 flux technique. Single crystals were investigated by X-ray diffraction and showed orthorhombic symmetry, space group D2h9-Pbam (No. 55), I a = 944.4; b = 1233.8; c = 310.5 pm; Z = 2 and II a = 925.07; b = 1241.67; c = 305.24 pm; Z = 2. Both compounds are isotypic to the mineral Ludwigite. All metal point positions show an octahedral oxygen coordination. Co2+ and M4+ (M = Sn or Mn) occupy one point position statistically. Both structures contain isolated, trigonal planar BO3 units and oxygen atoms that are not coordinated to boron.

The low-temperature form of calcium gold stannide, CaAuSn

2014 ◽  
Vol 70 (8) ◽  
pp. 773-775 ◽  
Author(s):  
Qisheng Lin ◽  
John D. Corbett
Keyword(s):  
High Temperature ◽  
Low Temperature ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Symmetry Space ◽  
High Temperature Polymorph ◽  
Symmetry Space Group

The EuAuGe-type CaAuSn phase has been synthesized and single-crystal X-ray diffraction analysis reveals that it has an orthorhombic symmetry (space groupImm2), witha= 4.5261 (7) Å,b= 7.1356 (11) Å andc= 7.8147 (11) Å. The structure features puckered layers that are connected by homoatomic Au—Au and Sn—Sn interlayer bonds. This structure is one of the two parent structures of its high-temperature polymorph (ca873 K), which is an intergrowth structure of the EuAuGe- and SrMgSi-type structures in a 2:3 ratio.

Synthesis and characterization of a new trimetallic compound (NH4)Ni2.4Co0.6O(OH)(MoO4)2•1.5H2O

2014 ◽  
Vol 29 (4) ◽  
pp. 379-382 ◽  
Author(s):  
Sandra Amaya ◽  
Johana Arboleda ◽  
Adriana Echavarría
Keyword(s):  
Thermal Analysis ◽  
Laser Raman Spectroscopy ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Laser Raman ◽  
Fourier Transformed Infrared Spectroscopy

A new trimetallic compound with formula (NH4)Ni2.4Co0.6O(OH)(MoO4)2•1.5H2O was obtained by hydrothermal synthesis. The solid was characterized by X-ray diffraction, thermal analysis (thermogravimetric analysis and differential thermal analysis), Fourier-transformed infrared spectroscopy, Laser Raman spectroscopy, and chemical analysis by atomic absorption, confirming the formation of the layered phase ϕy. Crystallographic studies showed that the compound obtained is trigonal with hexagonal unit-cell parameters, a = 6.0468 ± 0.0016 Å and c = 21.8433 ± 0.0001 Å, and space group R-3m.

scholarly journals Synthesis, Crystal Structures and Characterization of Two Nonmetal Cation Tetrafluoroborates

Crystals ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 812
Author(s):  
Noura Othman Alzamil ◽  
Ghareeba Mussad Al-Enzi ◽  
Aishah Hassan Alamri ◽  
Insaf Abdi ◽  
Amor BenAli
Keyword(s):  
Thermal Analysis ◽  
Hydrofluoric Acid ◽  
Cell Parameter ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Microwave Assisted

Two new nonmetal cation tetrafluoroborate phases [H3tren](BF4)3 (I) and [H3tren](BF4)3 HF (II) were synthesized by microwave-assisted solvothermal and characterized by single crystal X-ray diffraction, IR spectroscopy and thermal analysis DTA-TGA. [H3tren](BF4)3 is cubic (P213) with unit cell parameter a = 11.688(1) Å. [H3tren](BF4)3•HF is trigonal (R3c) with unit cell parameters a = 15.297(6) Å and c = 12.007(2) Å. Both (I) and (II) structures can be described from isolated tetrafluoroborate BF4- anions, triprotonated tris-(2-aminoethyl)amine (tren) [H3tren]3+. Phase (II) contains disordered BF4- tetrahedron and hydrofluoric acid.

Powder X-ray characterization of lithium thiazolidine-4-carboxylate

2009 ◽  
Vol 24 (1) ◽  
pp. 44-47 ◽  
Author(s):  
S. G. Antonio ◽  
C. O. Paiva-Santos ◽  
P. P. Corbi ◽  
A. C. Massabni ◽  
F. C. Andrade
Keyword(s):  
Carboxylic Acid ◽  
Diffraction Data ◽  
Lithium Salt ◽  
Paper Analysis ◽  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

Powder X-ray diffraction studies of a lithium salt of thiazolidine-4-carboxylic acid (Li-TC4) of composition LiC4H6NSO2 are presented in this paper. Analysis of the synchrotron powder X-ray diffraction data showed that the complex has an orthorhombic symmetry with space group P212121. Unit cell parameters after the refinement using the Pawley method are: a=19.4931(3) Å, b=4.947 77(6) Å, c=6.201 64(8) Å, and V=598.051 Å3.

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