Crystallography Open Database

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9013977 CIFMn0.6 Ni6.8 O8F m -3 m8.3368; 8.3368; 8.3368
90; 90; 90		579.426Taguchi, H.
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.4
Solid State Communications, 1998, 108, 635-639
9013978 CIFMn0.4 Ni7.2 O8F m -3 m8.343; 8.343; 8.343
90; 90; 90		580.72Taguchi, H.
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.6
Solid State Communications, 1998, 108, 635-639
9013979 CIFMn0.2 Ni7.6 O8F m -3 m8.3495; 8.3495; 8.3495
90; 90; 90		582.078Taguchi, H.
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.8
Solid State Communications, 1998, 108, 635-639
9013980 CIFNi0.995 OF m -3 m8.3532; 8.3532; 8.3532
90; 90; 90		582.852Taguchi, H.
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 1.0
Solid State Communications, 1998, 108, 635-639
9013981 CIFCa3.3 Ce0.3 F0.667 H0.333 Na0.3 O12.333 P3 Sr1.1P 639.485; 9.485; 7
90; 90; 120		545.385Rastsvetaeva, R. K.; Khomyakov, A. P.
Structural features of a new naturally occurring representative of the fluorapatite-deloneite series
Crystallography Reports, 1996, 41, 789-792
9013982 CIFAl2 Be2 Cs0.75 H6 Li Na0.226 O18.285 Si6R -3 c :H15.955; 15.955; 27.81
90; 90; 120		6130.91Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V.
Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar Note: T = 100 K
Crystallography Reports, 2009, 54, 399-412
9013983 CIFAl2 Be2.34 Cs0.079 H2 Li0.66 Na0.419 O18.19 Si6P 6/m c c9.2101; 9.2101; 9.2179
90; 90; 120		677.16Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V.
Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia Note: T = 100 K Note: variety vorobyevite Note: Coordinates of O1 and O2 corrected by Yakubivich
Crystallography Reports, 2009, 54, 399-412
9013984 CIFCa3 H6 O10 Si2P 116.33; 5.6389; 11.685
90.08; 126.446; 89.95		865.546Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E.
Refined structure of afwillite from the northern Baikal region
Crystallography Reports, 2009, 54, 418-422
9013985 CIFAl0.26 Be2 Ca Fe0.97 H8.5 Mg1.61 Mn0.18 O17 P3C 1 2/c 115.876; 11.86; 6.607
90; 95.49; 90		1238.32Rastsvetaeva, R. K.; Rozenberg, K. A.; Chukanov, N. V.; Mockel, S.
The crystal structure of an iron-rich variety of zanazziite belonging to heteropolyhedral framework roscherite-group beryllophosphates
Crystallography Reports, 2009, 54, 568-571
9013986 CIFCa10.381 O28 P7 Th0.119R 3 c :H10.4372; 10.4372; 37.4876
90; 90; 120		3536.6Orlova, A. I.; Khainakov, S. A.; Loginova, E. E.; Oleneva, T. A.; Garcia Granda, S.; Kurazhkovskaya, V. S.
Calcium thorium phosphate (whitlockite-type mineral). Synthesis and structure refinement
Crystallography Reports, 2009, 54, 591-597
9013987 CIFC0.5 H6 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3P 6312.688; 12.688; 5.189
90; 90; 120		723.437Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.
Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Enraf Nonius diffractometer
Crystallography Reports, 2009, 54, 793-799
9013988 CIFC0.5 H6 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3P 6312.688; 12.688; 5.189
90; 90; 120		723.437Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.
Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Bruker SMART CCD diffractometer
Crystallography Reports, 2009, 54, 793-799
9013989 CIFAl3 Ca Cl K0.39 Na2.61 O14 S0.5 Si3P 6312.773; 12.773; 5.334
90; 90; 120		753.65Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.
Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne
Crystallography Reports, 2009, 54, 793-799
9013990 CIFAl2 H5 O18 Si3.882 Tm0.935 Y2.115P 1 21/n 15.7551; 14.752; 15.906
90; 96.046; 90		1342.9Yakbovich, O. V.; Steele, I. M.
The crystal structure of vyuntspakhite: a redetermination
Crystallography Reports, 2009, 54, 822-830
9013991 CIFCa2 F O12 P3 Sr3P 639.63; 9.63; 7.22
90; 90; 120		579.856Klevtsova, R. F.
The crystal structure of strontium-apatite
Journal of Structural Chemistry, 1964, 5, 318-320
9013992 CIFAg10.332 As1.602 Cu5.668 S11 Sb0.398P -3 m 17.2567; 7.2567; 11.8193
90; 90; 120		539.015Bindi, L.; Pekov, I. V.
Crystal chemistry of extremely Cu-rich cupropearceite from the Sarbay mine, Northern Kazakhstan Location: Sarbay mine, Northern Kazakhstan
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2009, 138, 44-50
9013993 CIFFe3 H30 O12.236 S0.5P -3 1 m5.5241; 5.5241; 11.0113
90; 90; 120		291Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R.
Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis Locality: synthetic
Solid State Sciences, 2003, 5, 327-334
9013994 CIFMn SiP 21 34.548; 4.548; 4.548
90; 90; 90		94.072Boren, B.
Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel
Zeitschrift fur Metallkunde, 1957, 48, 126-134
9013995 CIFC H2 Ca4 O10.99 Si1.98P 21 21 213.786; 10.916; 23.379
90; 90; 90		966.207Rastsvetaeva, R. K.; Bolotina, N. B.; Zadov, A. E.; Chukanov, N. V.
Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the Gumeshevsk Deposit the Urals
Doklady Earth Sciences, 2005, 1347-1351
9013996 CIFC0.31 H18 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12P 3 1 c12.892; 12.892; 21.34
90; 90; 120		3071.61Rastsvetaeva, R. K.; Ivanova, A. G.; Chukanov, N. V.; Verin, I. A.
Crystal structure of alloriite
Doklady Earth Sciences, 2007, 415, 815-819
9013997 CIFH18 Na4 O19 Si4P 1 21/c 19.8744; 12.3981; 14.8973
90; 104.675; 90		1764.29Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Kazantsev, S. S.
Crystal structure of yegorovite Na4[Si4O8(OH)4]*7H2O
Doklady Earth Sciences, 2009, 427, 814-818
9013998 CIFMn SiP 21 34.558; 4.558; 4.558
90; 90; 90		94.694Lebech, B.; Bernhard, J.; Freltoft, T.
Magnetic structures of cubic FeGe studied by small-angle neutron scattering
Journal of Physics: Condensed Matter, 1989, 1, 6105-6122
9013999 CIFAs0.02 Cu0.94 H O5 P0.98 Zn1.06P n n m8.323; 8.251; 5.861
90; 90; 90		402.493Williams, P. A.; Leverett, P.; Birch, W. D.; Hibbs, D. E.; Kilitsch, U.; Mihajlovic, T.
Zinc-rich zincolibethenite from Broken Hill, New South Wales Note: z-coordinate of O3 altered by communication with authors, April 2010
Australian Journal of Mineralogy, 2006, 12, 3-7
9014000 CIFCu H6 O14 Pb4 S2P -15.796; 7.9471; 7.9836
111.994; 97.765; 100.426		326.939Mereiter, K.
Chenite, Pb4Cu(SO4)2(OH)6, from Susanna mine, Leadhills, Scotland. Note: Crystal is from the Paar et al (1986) mineral description paper
Private communication, 2009
9014001 CIFBa Fe12 O19P 63/m m c5.9291; 5.9281; 23.407
90; 90; 120		712.493Collomb, A.; Wolfers, P.; Obradors, X.
Neutron diffraction studies of some hexagonal ferrites: BaFe12O19, BaMg2-W and CaCo2-W Note: T = 470 C, neutron, refined with Rietveld
Journal of Magnetism and Magnetic Materials, 1986, 62, 57-67
9014002 CIFCl O12 Pb5 V3P 63/m10.299; 10.299; 7.308
90; 90; 120		671.304Laufek, F.; Skala, R.; Haloda, J.; Cisarova, I.
Crystal structure of vanadinite: refinement of anisotropic displacement parameters Locality: Mibladen, Morocco
Journal of the Czech Geological Society, 2006, 51, 271-275
9014003 CIFC H8 B Na O8C 1 2 116.119; 6.928; 6.73
90; 100.46; 90		739.066Wang, L.; Zhou, K.; Shi, J.
Refinement of the qilianshanite structure
Geological Review, 1994, 40, 347-353
9014004 CIFCP 6/m m m4.89; 4.89; 3.88
90; 90; 120		80.349Bucknum, M. J.; Castro, E. A.
The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes
Journal of Chemical Theory and Computation, 2006, 2, 775-781
9014005 CIFC3 K4 O11 UC 1 2/c 110.24; 9.198; 12.222
90; 95.12; 90		1146.57Han, J. C.; Rong, S. B.; Chen, Q. M.; Wu, X. R.
The determination of the crystal structure of tetrapotassium uranyl tricarbonate by powder X-ray diffraction method Locality: synthetic
Chinese Journal of Chemistry, 1990, 4, 313-318
9014006 CIFNi3 SnP m -3 m3.738; 3.738; 3.738
90; 90; 90		52.23Cannon, F. C.
Effect of high pressure on the structure of AB3-type layered compounds
Materials Research Society Symposia Proceedings, 1984, 22, 113-116
9014009 CIFAl6.873 B3 F0.05 Fe1.188 H5.85 Li0.021 Mg0.819 Mn0.081 Na0.37 O30.95 Si5.958 Ti0.009 Zn0.009R 3 m :H15.9537; 15.9537; 7.1448
90; 90; 120		1574.87Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.
Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK3
European Journal of Mineralogy, 2012, 24, 695-715
9014010 CIFB H3 O3P -17.05; 7.05; 6.57
92.5; 101.17; 120		273.621Zachariasen, W. H.
The crystal lattice of boric acid, BO3H3
Zeitschrift fur Kristallographie, 1934, 88, 150-161
9014011 CIFC0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3P 6312.24; 12.24; 4.843
90; 90; 120		628.359Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.
High-pressure study of a natural cancrinite Note: P = 6.63 GPa
American Mineralogist, 2012, 97, 872-882
9014013 CIFAs0.111 Cu0.889P 63/m m c2.588; 2.588; 4.226
90; 90; 120		24.513Heyding, R. D.; Despault, G. J. G.
The copper/arsenic system and the copper arsenide minerals
Canadian Journal of Chemistry, 1960, 38, 2477-2481
9014014 CIFAl7.167 B3 Ca0.441 F0.681 Fe0.027 H3.318 Li1.278 Mn0.531 Na0.471 O30.318 Pb0.025 Si6R 3 m :H15.8675; 15.8675; 7.1135
90; 90; 120		1551.07Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L11, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9014015 CIFC0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18P 6312.627; 12.627; 5.136
90; 90; 120		709.179Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.
Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# ggm44331
The Canadian Mineralogist, 2012, 49, 1129-1150
9014016 CIFGe O2P 32 2 14.9113; 4.9113; 5.6099
90; 90; 120		117.187Yamanaka, T.; Ogata, K.
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 1.69 GPa T = 293 K Note: quartz structure
Journal of Applied Crystallography, 1991, 24, 111-118
9014018 CIFB Ca H O5 SiP 1 21/c 14.8336; 7.6076; 9.6298
90; 90.165; 90		354.106Rinaldi, R.; Gatta, G. D.; Angel, R. J.
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study
American Mineralogist, 2010, 95, 1413-1421
9014019 CIFNi0.493 Ti0.507P m -3 m3.00896; 3.00896; 3.00896
90; 90; 90		27.243Sitepu, H.
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed
Powder Diffraction, 2009, 24, 315-326
9014020 CIFCa1.78 Fe1.72 H2 K0.4 Mg3.404 Na0.56 O24 Si8C 1 2/m 19.718; 17.87; 5.259
90; 105.8; 90		878.776Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 2.85 GPa
American Mineralogist, 2010, 95, 1042-1051
9014023 CIFCl2 Cu5 H12 O10C 1 2/m 110.3113; 6.7606; 8.8386
90; 111.468; 90		573.397Hawthorne, F. C.; Cooper, M. A.; Grice, J. D.; Roberts, A. C.; Hubbard, N.
Description and crystal structure of bobkingite, (Cu2+)5Cl2(OH)8(H2O)2, a new mineral from New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK
Mineralogical Magazine, 2002, 66, 301-311
9014024 CIFAl5.451 B3 Ca0.062 F0.3 Fe3.549 H3.23 Na0.938 O30.7 Si6R 3 m :H16.043; 16.043; 7.247
90; 90; 120		1615.33Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2
American Mineralogist, 2012, 97, 1402-1416
9014025 CIFO4 Pb WI 41/a :15.44505; 5.44503; 12.0495
90; 90; 90		357.249Xu, K.; Xue, J.; Ding, Y.; Lu, G.
Discovery of stolzite in China and refinement of its crystal structure
Acta Geologica Sinica, 1995, 8, 111-116
9014026 CIFCl10 Cu6.15 K0.62 O8 Pb1.45 Se2 ZnP n n m9.132; 19.415; 13.213
90; 90; 90		2342.64Shuvalov, R. R.; Vergasova, L. P.; Semenova, T. F.; Filatov, S. K.; Krivovichev, S. V.; Siidra, O. I.; Rudashevsky, N. S.
Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure
American Mineralogist, 2013, 98, 463-469
9014030 CIFAs10 Cu13 H50 O63P -16.424; 14.37; 16.559
102.882; 101.036; 98.022		1435.81Sejkora, J.; Plasil, J.; Ondrus, P.; Veselovsky, F.; Cisarova, I.; Hlousek, J.
Slavkovite, Cu13(AsO4)6(AsO3OH)4*23H2O, a new mineral species from Horni Slavkov and Jachymov, Czech Republic: Description and crystal-structure determination
The Canadian Mineralogist, 2010, 48, 1157-1170
9014032 CIFBi2 PtP a -36.7022; 6.7022; 6.7022
90; 90; 90		301.059Furuseth, S.; Selte, K.; Kjekshus, A.
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Acta Chemica Scandinavica, 1965, 19, 735-741
9014033 CIFAl Ca F6 H2 Na OP 1 21/c 15.563; 5.541; 16.115
90; 96.35; 90		493.691Adhikesavalu, D.; Cameron, T. S.; Knop, O.
Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite
Canadian Journal of Chemistry, 1985, 63, 3322-3327
9014034 CIFC0.61 Na4 O7.39 S1.39P m n m :25.17; 9.217; 7.058
90; 90; 90		336.327Giuseppetti, G.; Mazzi, F.; Tadini, C.
The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t Sample A Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221
9014036 CIFCr2 O3R -3 c :H4.957; 4.957; 13.5923
90; 90; 120		289.242Sawada, H.
Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: harmonic scattering factor refinement
Materials Research Bulletin, 1994, 29, 239-245
9014038 CIFO7 W2F d -3 m :210.206; 10.206; 10.206
90; 90; 90		1063.08Nedjar, R.; Borel, M.; Hervieu, M.; Raveau, B.
Une Nouvelle Forme de Trioxyde de Tungstene: Les Oxydes WO3 et WO3*0.5(H2O) a Structure Pyrochlore _cod_database_code 1001358
Materials Research Bulletin, 1988, 23, 91-97

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