Crystallography Open Database

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9013386 CIFAl4.5 B0.5 O9.5 SiC m c 215.7168; 15.023; 7.675
90; 90; 90
659.156Buick, I. S.; Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M.; Bebout, G.; Clarke, G.
Boromullite, Al9BSi2O19, a new mineral from granulite-facies metapelites, Mount Safford, central Australia: a natural analogue of a synthetic "boron-mullite" Locality: Mount Safford, central Australia
European Journal of Mineralogy, 2008, 20, 935-950
9013387 CIFB3.112 Mg8 O16.026 Si1.028P n m a20.494; 11.89; 4.588
90; 90; 90
1117.97Galuskina, I. O.; Kadiyski, M.; Armbruster, T.; Galuskin, E. V.; Pertsev, N. N.; Dzierzanowski, P.; Wrzalik, R.
A new natural phase in the system Mg2SiO4-Mg2BO3F-Mg2BO3(OH): composition, paragenesis and structure of OH-dominant pertsevite
European Journal of Mineralogy, 2008, 20, 951-964
9013388 CIFAl B3 Ca O7C m m a7.967; 11.723; 4.3718
90; 90; 90
408.314Kadiyski, M.; Armbruster, T.; Gunther, D.; Reusser, E.; Peretti, A.
Johachidolite, CaAl[B3O7], a mineralogical and structural peculiarity
European Journal of Mineralogy, 2008, 20, 965-973
9013389 CIFCa0.129 Fe4.759 Mg0.327 Na1.871 O20 Si5.914 TiP -110.415; 10.84; 8.931
105.107; 96.61; 125.398
746.778Grew, E. S.; Halenius, U.; Pasero, M.
The crystal-chemistry of aenigmatite revisited: electron microprobe data, structure refinement and Mossbauer spectroscopy of aenigmatite from Vesteroya (Norway)
European Journal of Mineralogy, 2008, 20, 983-991
9013390 CIFAl2.89 Ca0.21 H3 Mn1.9 O14 Si3P 1 21/m 18.697; 5.787; 9.769
90; 108.91; 90
465.133Hatert, F.; Fransolet, A. M.; Wouters, J.; Bernhardt, H. J.
The crystal structure of sursassite from the Lienne Valley, Stavelot Massif, Belgium
European Journal of Mineralogy, 2008, 20, 993-998
9013391 CIFC5 H8P -4 21 c6.6; 6.6; 8.81
90; 90; 90
383.764Donohue, J.; Goodman, S. H.
The crystal structure of adamantane: An example of a false minimum in least squares Note: low temperature phase
Acta Crystallographica, 1967, 22, 352-354
9013392 CIFMo Ni PP -6 2 m5.861; 5.861; 3.704
90; 90; 120
110.191Guerin, R.; Sergent, M.
Structure cristalline de NiMoP Localite: synthetic
Acta Crystallographica, Section B, 1977, 33, 2820-2823
9013393 CIFO2 SiF 19.932; 17.216; 81.864
90; 90; 90
13997.9Konnert, J. H.; Appleman, D. E.
The crystal structure of low tridymite
Acta Crystallographica, Section B, 1978, 34, 391-403
9013394 CIFSbR -3 m :H4.214; 4.214; 10.569
90; 90; 120
162.538Schiferl, D.; Cromer, D. T.; Jamieson, J. C.
Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.3 GPa Note: known as the A7 rhombohedral-type structure
Acta Crystallographica, Section B, 1981, 37, 807-810
9013395 CIFSbR -3 m :H4.21; 4.21; 10.53
90; 90; 120
161.63Schiferl, D.; Cromer, D. T.; Jamieson, J. C.
Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.8 GPa Note: known as the A7 rhombohedral-type structure
Acta Crystallographica, Section B, 1981, 37, 807-810
9013396 CIFSbR -3 m :H4.198; 4.198; 10.485
90; 90; 120
160.024Schiferl, D.; Cromer, D. T.; Jamieson, J. C.
Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.15 GPa Note: known as the A7 rhombohedral-type structure
Acta Crystallographica, Section B, 1981, 37, 807-810
9013397 CIFSbR -3 m :H4.196; 4.196; 10.455
90; 90; 120
159.414Schiferl, D.; Cromer, D. T.; Jamieson, J. C.
Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.7 GPa Note: known as the A7 rhombohedral-type structure
Acta Crystallographica, Section B, 1981, 37, 807-810
9013398 CIFMg2 O4 TiF d -3 m :28.4376; 8.4376; 8.4376
90; 90; 90
600.699Wechsler, B. A.; Von Dreele, R. B.
Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 973 K
Acta Crystallographica, Section B, 1989, 45, 542-549
9013399 CIFPd SP 42/m6.429; 6.429; 6.611
90; 90; 90
273.246Brese, N. E.; Squattrito, P. J.; Ibers, J. A.
Reinvestigation of the structure of PdS
Acta Crystallographica, Section C, 1985, 41, 1829-1830
9013400 CIFPb SF m -3 m5.9143; 5.9143; 5.9143
90; 90; 90
206.876Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.
Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 120 K
Acta Crystallographica, Section C, 1987, 43, 1443-1445
9013401 CIFPb SF m -3 m5.9181; 5.9181; 5.9181
90; 90; 90
207.275Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.
Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 150 K
Acta Crystallographica, Section C, 1987, 43, 1443-1445
9013402 CIFPb SF m -3 m5.9297; 5.9297; 5.9297
90; 90; 90
208.496Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.
Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 250 K
Acta Crystallographica, Section C, 1987, 43, 1443-1445
9013403 CIFPb SF m -3 m5.9315; 5.9315; 5.9315
90; 90; 90
208.686Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.
Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 298 K
Acta Crystallographica, Section C, 1987, 43, 1443-1445
9013404 CIFFe2 H O5 PP 1 21/a 112.265; 13.197; 9.7385
90; 108.63; 90
1493.69Hatert, F.
Fe2(PO4)(OH), a synthetic analogue of wolfeite Sample: T = 1063 K, P = 2.5 GPa
Acta Crystallographica, Section C, 2007, 63, i119-i121
9013405 CIFF2 Fe H4 K2 O8 P2P 1 21/c 14.7586; 8.253; 10.758
90; 92.845; 90
421.975Mi, J. X.; Wang, C. X.; Wei, Z. B.; Chen, F. J.; Xu, C. Y.; Mao, S. Y.
K2Fe[H(HPO4)2]F2
Acta Crystallographica, Section E, 2005, 61, i143-i145
9013406 CIFH14 Ni O11 SP 21 21 2111.82; 12.02; 6.81
90; 90; 90
967.54Beevers, C. A.; Schwartz, C. M.
The crystal structure of nickel sulphate heptahydrate NiSO4*7H2O Note: hydrogen positions from Acta Crystallographica B24 (1968) 1131-1133 Note: all atoms shifted .25, 0, 0
Zeitschrift fur Kristallographie, 1935, 91, 157-169
9013407 CIFNa Nb O3R 3 c :R7.8147; 7.8147; 7.8147
89.17; 89.17; 89.17
477.091Seidel, P.; Hoffmann, W.
Verfeinerung der kristallstruktur von NaNbO3 N. Bestimmung der absoluten konfiguration und des zwillingsgesetzes Note T = 84 K
Zeitschrift fur Kristallographie, 1976, 143, 444-459
9013408 CIFAs0.91 Co0.13 Fe0.87 S1.09P 1 21/c 15.741; 5.649; 5.756
90; 110.588; 90
174.75Fuess, H.; Kratz, T.; Topel-Schadt J; Miehe, G.
Crystal structure refinement and electron microscopy of arsenopyrite Note: structure was transformed to this setting from C2_1/d
Zeitschrift fur Kristallographie, 1987, 179, 335-346
9013409 CIFS ZnP 63 m c3.814; 3.814; 12.46
90; 90; 120
156.968Frondel, C.; Palache, C.
Three new polymorphs of zinc sulfide
Science, 1948, 107, 602-602
9013410 CIFS5 Zn5R 3 m :H3.83; 3.83; 46.87999
90; 90; 120
595.547Frondel, C.; Palache, C.
Three new polymorphs of zinc sulfide
Science, 1948, 107, 602-602
9013412 CIFS ZnP 63 m c3.818; 3.818; 6.26
90; 90; 120
79.027Ballentyne, D. W. G.; Roy, B.
Electroluminescence and crystal structure in the alloy system ZnS - CdS
Physica, 1961, 27, 337-341
9013413 CIFBa O2I 4/m m m3.8114; 3.8114; 6.8215
90; 90; 90
99.094Wong-Ng W; Roth, R. S.
Single-crystal structural investigation of BaO2
Physica C, 1994, 233, 97-101
9013414 CIFFeI m -3 m2.858; 2.858; 2.858
90; 90; 90
23.345Davey, W. P.
Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2
Physical Review, 1925, 25, 753-761
9013415 CIFFeI m -3 m2.855; 2.855; 2.855
90; 90; 90
23.271Davey, W. P.
Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4
Physical Review, 1925, 25, 753-761
9013416 CIFPdF m -3 m3.859; 3.859; 3.859
90; 90; 90
57.468Davey, W. P.
Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2
Physical Review, 1925, 25, 753-761
9013417 CIFPtF m -3 m3.912; 3.912; 3.912
90; 90; 90
59.868Davey, W. P.
Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of three runs
Physical Review, 1925, 25, 753-761
9013418 CIFPbF m -3 m4.92; 4.92; 4.92
90; 90; 90
119.095Davey, W. P.
Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2
Physical Review, 1925, 25, 753-761
9013419 CIFBP n n m5.0576; 5.6245; 6.9884
90; 90; 90
198.795Zarechnaya, E. Y.; Dubrovinsky, L.; Dubrovinskaia, N.; Filinchuk, Y.; Chernyshov, D.; Dmitriev, V.; Miyajima, N.; El Goresy, A.; Braun, H. F.; Van Smaalen, S.; Kantor, I.; Kantor, A.; Prakapenka, V.; Hanfland, M.; Mikhaylushkin, A. S.; Abrikosov, I. A.; Simak, S. I.
Superhard semiconducting optically transparent high pressure phase of boron Note: crystal quenched from 20 GPa, 1700 K
Physical Review Letters, 2009, 102, 185501-1185501-4
9013420 CIFS ZnP 63 m c3.777; 3.777; 6.188
90; 90; 120
76.45Yeh, C.; Lu, Z. W.; Froyen, S.; Zunger, A.
Zinc-blende-wurtzite polytypism in semiconductors
Physical Review B, 1992, 46, 10086-10097
9013421 CIFMn0.29 Se Zn0.71P 63 m c4.064; 4.064; 6.643
90; 90; 120
95.017Yeh, C.; Lu, Z. W.; Froyen, S.; Zunger, A.
High-pressure phase transitions in Zn1-xMnxSe: A Raman scattering and photoluminescence study Note: wurtzite structure Note: synthetic
Physical Review B, 1995, 52, 11052-11058
9013422 CIFCe0.91 O4 Si Y0.09I 41/a m d :26.9746; 6.9746; 6.2055
90; 90; 90
301.867Schluter, J.; Malcherek, T.; Husdal, T. A.
The new mineral stetindite, CeSiO4, a cerium end-member of the zircon group
Neues Jahrbuch fur Mineralogie, Abhandlungen, 2009, 186, 195-200
9013423 CIFAl Ca2 H22 O11 S0.5R -3 :H5.7586; 5.7586; 26.7946
90; 90; 120
769.506Allmann, R.
Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]- Note: z(Wat1) adjusted to match reported bond lengths
Neues Jahrbuch fur Mineralogie, Monatshefte, 1977, 1977, 136-144
9013424 CIFBi2 Se3P n m a11.83; 4.09; 11.62
90; 90; 90
562.23Atabaeva, E. Y.; Mashkov, S. A.; Popova, S. V.
The crystal structure of a new modification of Bi2Se3-II
Kristallografiya, 1973, 18, 173-174
9013425 CIFAl1.2 Be2 Ca3.5 Fe10.3 Mg0.5 Na0.5 O40 Si8.8 Ti1.2P -110.352; 10.744; 8.864
105.73; 96.16; 124.91
733.912Yakubovich, O. V.; Malinovskii, Y. A.; Polyakov, V. O.
Crystal structure of makarochkinite of the Il'menskii National Forest, Russia
Kristallografiya, 1990, 35, 1388-1394
9013426 CIFO2 SiP 1 21/c 18.378; 4.6018; 9.0568
90; 124.949; 90
286.205Dove, M. T.; Craig, M. S.; Keen, D. A.; Marshall, W. G.; Redfern, S. A. T.; Trachenko, K. O.; Tucker, M. G.
Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 Locality: synthetic Note: P = 3.5 GPa, refinement by unconstrained Rietveld analysis
Mineralogical Magazine, 2000, 64, 569-576
9013427 CIFO2 SiP 1 21/c 18.3769; 4.602; 9.0583
90; 124.939; 90
286.263Dove, M. T.; Craig, M. S.; Keen, D. A.; Marshall, W. G.; Redfern, S. A. T.; Trachenko, K. O.; Tucker, M. G.
Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 Locality: synthetic Note: P = 3.5 GPa, refinement by constrained Rietveld analysis
Mineralogical Magazine, 2000, 64, 569-576
9013428 CIFAg11.706 As0.618 Cu4.294 S11 Sb1.382P -3 m 17.3277; 7.3277; 11.7752
90; 90; 120
547.563Bindi, L.; Evain, M.; Spry, P. G.; Tait, K. T.; Menchetti, S.
Structural role of copper in the minerals of the pearceite-polybasite group: the case of the new minerals cupropearceite and cupropolybasite
Mineralogical Magazine, 2007, 71, 641-650
9013429 CIFAg5 S4 SbC m c 217.8329; 12.458; 8.5272
90; 90; 90
832.104Leitl, M.; Pfitzner, A.; Bindi, L.
Preferred ion diffusion pathways and activation energies for Ag in the crystal structure of stephanite, Ag5SbS4 Note: y-coordinate of Sb altered by Bindi, June 2009
Mineralogical Magazine, 2009, 73, 17-26
9013430 CIFMn5 Si3P 63/m c m6.8971; 6.8971; 4.8075
90; 90; 120
198.054Yusupov, R. G.; Stanley, C. J.; Welch, M. D.; Spratt, J.; Cressey, G.; Rumsey, M. S.; Seltmann, R.; Igamberdiev, E.
Mavlyanovite, Mn5Si3: a new mineral species from a lamproite diatreme, Chatkal Ridge, Uzbekistan Locality: Chatkal Ridge, Uzbekistan
Mineralogical Magazine, 2009, 73, 43-50
9013431 CIFAl0.03 Fe0.82 K0.01 Mg0.08 Mn0.01 Na0.77 O8 P0.06 S2 Ti0.02C 1 2/m 18.043; 5.139; 7.115
90; 92.13; 90
293.881Balic-Zunic T; Garavelli, A.; Acquafredda, P.; Leonardsen, E.; Jakobsson, S. P.
Eldfellite, NaFe(SO4)2, a new fumarolic mineral from Eldfell volcano, Iceland
Mineralogical Magazine, 2009, 73, 51-57
9013432 CIFBi2.76 Pb5.24 S9C 1 2/m 113.719; 4.132; 31.419
90; 90.94; 90
1780.81Callegari, A. M.; Boiocchi, M.
Aschamalmite (Pb6Bi2S9): crystal structure and ordering scheme for Pb and Bi atoms Locality: Susa Valley, Piedmont, Italy
Mineralogical Magazine, 2009, 73, 83-94
9013433 CIFC H13 B2 Cl25 O46 Pb47C 1 m 117.372; 27.9419; 10.6661
90; 93.152; 90
5169.56Krivovichev, S. V.; Turner, R.; Rumsey, M.; Sidra, O. I.; Kirk, C. A.
The crystal structure and chemistry of mereheadite
Mineralogical Magazine, 2009, 73, 103-117
9013434 CIFAl0.24 Fe5.6 H6 O18 P3 Zn1.16B b m m13.865; 16.798; 5.151
90; 90; 90
1199.69Elliot, P.; Kolitsch, U.; Giester, G.; Libowitzky, E.; McCammon, C.; Pring, A.; Birch, W. D.; Brugger, J.
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia Locality: Broken Hill, New South Wales, Australia
Mineralogical Magazine, 2009, 73, 131-148
9013435 CIFAl1.782 Ca0.731 H6 O13.625 Si4.218F d -3 m :224.71; 24.71; 24.71
90; 90; 90
15087.5Bennett, J. M.; Smith, J. V.
Positions of cations and molecules in zeolites with the faujasite-type framework III. Hydrated Ca-exchanged faujasite
Materials Research Bulletin, 1968, 3, 933-940
9013436 CIFBi O4 VI 1 1 2/b5.2146; 5.0842; 11.7063
90; 90; 90.394
310.351Sleight, A. W.; Chen, H.-Y.; Ferretti, A.; Cox, D. E.
Crystal growth and structure of BiVO4 Sample: T = 4.5 K
Materials Research Bulletin, 1979, 14, 1571-1581

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