Crystallography Open Database

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9015848 CIFAl7.239 B3 Ca0.683 F0.639 Fe0.063 H3.36 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.36 Pb0.006 Si6 Ti0.003R 3 m :H15.8306; 15.8306; 7.0999
90; 90; 120
1540.91Lussier, 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: L22, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015849 CIFMn2 O4 SiP n m a10.60016; 6.25753; 4.90338
90; 90; 90
325.245Yamazaki, S.; Toraya, H.
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo
Journal of Applied Crystallography, 1999, 32, 51-59
9015850 CIFAl7.14 B3 Ca0.61 F0.633 Fe0.12 H3.337 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.337 Pb0.007 Si6 Ti0.006R 3 m :H15.8438; 15.8438; 7.1043
90; 90; 120
1544.44Lussier, 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: L25, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015851 CIFC Ca O3P m c n4.975; 8.0446; 5.8329
90; 90; 90
233.444Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 434 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015852 CIFAg As1.89 Mn1.76 Pb2.12 S12 Sb3.23P 1 21/n 119.233; 12.633; 8.476
90; 90.08; 90
2059.42Bindi, L.; Keutsch, F. N.; Bonazzi, P.
Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model I
American Mineralogist, 2012, 97, 440-446
9015853 CIFCu O10 Si4 SrP 4/n c c :27.36657; 7.36657; 15.5844
90; 90; 90
845.709Knight, K. S.; Henderson, C. M. B.; Clark, S. M.
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 0.000
European Journal of Mineralogy, 2010, 22, 411-423
9015854 CIFAs2 Fe3 H27.12 Mo8 Na3.52 O50.56P n m b14.8866; 11.088; 15.056
90; 90; 90
2485.18Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W.
The heteropolymolybdate family: structural relations, nomenclature scheme and new species
Mineralogical Magazine, 2012, 76, 1175-1207
9015857 CIFFe0.765 H1.59 K Mg2.235 O12 Si4C 1 2/m 15.3416; 9.2411; 10.2332
90; 99.983; 90
497.486Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L.
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC6_R7
Physics and Chemistry of Minerals, 2008, 35, 163-174
9015858 CIFMg2 O4 SiI m m a5.7016; 11.4427; 8.2491
90; 90; 90
538.185Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.
High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 297 K
American Mineralogist, 2012, 97, 1582-1590
9015859 CIFAl1.898 Ca1.93 Fe0.05 H2 K0.06 Mg4.24 Mn0.57 Na1.8 O24 Pb0.134 Si6.372C 1 2/m 19.9448; 18.0171; 5.2829
90; 105.445; 90
912.387Halenius, U.; Bosi, F.
Cation ordering in Pb2±bearing, Mn3±rich pargasite from Langban, Sweden
American Mineralogist, 2012, 97, 1635-1640
9015861 CIFAl1.33 Ba0.05 F0.17 Fe0.807 H1.553 K0.83 Mg2.193 Na0.07 O11.83 Si2.67C 1 2/m 15.3403; 9.2481; 10.2327
90; 100.017; 90
497.665Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F.
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_14n
American Mineralogist, 2010, 95, 1458-1466
9015862 CIFAl0.37 Ca2 Fe1.63 O5P n m a5.4042; 14.6835; 5.5947
90; 90; 90
443.954Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 0.0001 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9015863 CIFPd Sb2P a -36.4584; 6.4584; 6.4584
90; 90; 90
269.386Furuseth, 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
9015866 CIFAl3.6 H20.04 K3.02 Na0.44 O34.02 Si8.4R -3 m :R9.442; 9.442; 9.442
94.29; 94.29; 94.29
834.316Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: K-exchanged
Zeolites, 1982, 2, 303-309
9015868 CIFB Ca H O5 SiP 1 21/c 14.8355; 7.6085; 9.6326
90; 90.159; 90
354.391Rinaldi, R.; Gatta, G. D.; Angel, R. J.
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 280 K
American Mineralogist, 2010, 95, 1413-1421
9015869 CIFCr0.5 H12 O21.5 Pb5 Te3C 2 2 219.6646; 19.4962; 10.5101
90; 90; 90
1980.34Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J.
Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite
American Mineralogist, 2012, 97, 212-219
9015870 CIFCu2 O7 V2P 17.8468; 5.6213; 10.18
103.61; 109.71; 45.74
302.746Yashima, M.; Suzuki, R. O.
Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: theoretical study, in a triclinic setting
Physical Review B, 2009, 79, 125201-125206
9015871 CIFB H O2P 1 21/a 17.122; 8.842; 6.771
90; 93.26; 90
425.698Zachariasen, W. H.
The crystal structure of monoclinic metaboric acid
Acta Crystallographica, 1963, 16, 385-389
9015875 CIFC0.704 H2 Al2.28 Na3.702 O15.112 Si3.72P 63 m c12.584; 12.584; 5.101
90; 90; 120
699.557Pekov, 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# u1631
The Canadian Mineralogist, 2012, 49, 1129-1150
9015879 CIFAl1.36 Ba0.03 F0.16 Fe0.806 H1.35 K0.89 Mg2.194 Na0.08 O11.84 Si2.64C 1 2/m 15.32568; 9.2207; 10.2093
90; 100.014; 90
493.705Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F.
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_18n
American Mineralogist, 2010, 95, 1458-1466
9015880 CIFFe3 H14 O16 P2P -17.989; 9.321; 4.629
97.34; 95.96; 108.59
320.184Chukanov, N. V.; Scholz, R.; Aksenov, S. M.; Rastsvetaeva, R. K.; Pekov, I. V.; Belakovskiy, D. I.; Krambrock, K.; Paniago, R. M.; Righi, A.; Martins, R. F.; Belotti, F. M.; Bermanec, V.
Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision
Mineralogical Magazine, 2012, 76, 725-741
9015882 CIFAl2.15 Ca2 Fe0.12 H Mn0.73 O13 Si3P 1 21/m 18.8727; 5.6686; 10.1682
90; 115.48; 90
461.675Nagashima, M.; Akasada, M.
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.25, run 30
American Mineralogist, 2010, 95, 1237-1246
9015884 CIFAl0.08 Ca2 Fe1.513 H Mg0.197 Mn0.21 O15 Si5P -17.469; 12.161; 6.675
86.09; 93.94; 112.21
559.398Armbruster, T.
Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample Arvigo 1, NMBE 34973
Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284
9015885 CIFC Fe O3R -3 c :H4.348; 4.348; 12.52
90; 90; 120
204.981Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-3, P = 55.0 GPa
Physical Review B, 2010, 82, 064110-064118
9015886 CIFC Ca0.997 O3 Sr0.003P m c n4.9723; 7.9983; 5.7931
90; 90; 90
230.391Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 527 K
American Mineralogist, 2012, 97, 707-712
9015887 CIFCu OC 1 2/c 14.6839; 3.4734; 5.1226
90; 98.73; 90
82.374Calos, N. J.; Forrester, J. S.; Schaffer, G. B.
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 25 min
Journal of Solid State Chemistry, 1996, 122, 273-280
9015889 CIFCa Cl2 H8 O4P -16.5932; 6.3673; 8.5606
97.83; 93.5; 110.58
331.003Leclaire, A.; Borel, M. M.
Liaisons hydrogene et coordination du calcium dans les cristaux de CaCl2*4H2O alpha
Acta Crystallographica, Section B, 1979, 35, 585-588
9015890 CIFAl7.188 B3 Ca0.628 F0.702 Fe0.021 H5.97 Li1.584 Mn0.207 Na0.297 O32.97 Pb0.023 Si6R 3 m :H15.8456; 15.8456; 7.1066
90; 90; 120
1545.29Lussier, 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: L5, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015893 CIFC Ca O3P m c n4.9566; 7.9808; 5.7464
90; 90; 90
227.314Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 50 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015895 CIFCa6 H2 O13 Si3P -16.8155; 6.9363; 12.8904
90.652; 97.659; 98.195
597.495Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P.
Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-free dellaite
Mineralogical Magazine, 2011, 75, 379-394
9015897 CIFLa0.924 Nb1.228 O6 Ti0.772P n m a10.96305; 7.58996; 5.46833
90; 90; 90
455.015Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.
Solving Structural Problems of Ceramic Materials
Croatica Chemica Acta, 2004, 77, 435-446
9015898 CIFC Ca O3P 63/m m c4.1304; 4.1304; 8.4749
90; 90; 120
125.213Le Bail, A.; Ouhenia, S.; Chateigner, D.
Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred
Powder Diffraction, 2011, 26, 16-21
9015900 CIFAl2 Ca H4 O10 Si2C m c m5.714; 8.592; 12.871
90; 90; 90
631.898Pawley, A. R.; Allan, D. R.
A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN89, P = 9.8 GPa
Mineralogical Magazine, 2001, 65, 41-58
9015903 CIFAl7.2 B3 Ca0.02 F0.699 Fe0.909 H6.189 Li0.741 Mn0.09 Na0.83 O30.3 Si6 Zn0.06R 3 m :H15.9083; 15.9083; 7.1229
90; 90; 120
1561.11Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.
Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: split-site SREF
American Mineralogist, 2013, 98, 297-303
9015904 CIFAl4.86 Ca0.53 H31.48 K1.26 Mg Na0.15 O51.74 Si13.14P 63/m m c18.392; 18.392; 7.646
90; 90; 120
2239.87Galli, E.
Crystal structure refinement of mazzite
Rendiconti della Societa Italiana di Mineralogia e Petrologia, 1975, 31, 599-612
9015905 CIFAl3.12 Ca0.348 H19.32 K0.52 Mg0.66 O33.66 Si8.88R -3 m :R9.3433; 9.3433; 9.3433
94.894; 94.894; 94.894
806.178Montagna, G.; Bigi, S.; Konya, P.; Szakall, S.; Vezzalini, G.
Chabazite-Mg: A new natural zeolite of the chabazite series
American Mineralogist, 2010, 95, 939-945
9015906 CIFFeF m -3 m3.477; 3.477; 3.477
90; 90; 90
42.035Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 25.72 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015907 CIFBa10 Ca2 Cl8 H12 Mn O32 Si8 TiP 4/m m m14.03; 14.03; 5.635
90; 90; 90
1109.2Khan, A. A.; Baur, W. H.
Eight-membered cyclosilicate rings in muirite
Science, 1971, 173, 916-918
9015908 CIFC H Ho O4P 21 21 216.9583; 4.8121; 8.4558
90; 90; 90
283.134Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.
Crystal chemistry of RE(CO3)OH
Zeitschrift fur Kristallographie, 2007, 222, 326-334
9015909 CIFB Ca H O3P 1 21/c 13.5624; 9.5225; 8.6231
90; 119.452; 90
254.718Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.
Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K
The Canadian Mineralogist, 2011, 49, 823-834
9015910 CIFF Mg3 O5 SiP b n m4.7; 10.2; 8.72
90; 90; 90
418.037Taylor, W.; West, J.
The Structure of Norbergite _cod_database_code 1011009
Zeitschrift fur Kristallographie, 1929, 70, 461-474
9015911 CIFAl2.06 Ca1.88 Cr0.6 Fe0.14 H2 K0.07 Mg4.06 Na O24 Si6.12 Ti0.02C 1 2/m 19.9176; 18.0057; 5.2865
90; 105.395; 90
910.155Nishio-Hamane D; Ohnishi, M.; Minakawa, T.; Yamaura, J.; Saito, S.; Kadota, R.
Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan
Journal of Mineralogical and Petrological Sciences, 2012, 107, 1-7
9015912 CIFAl7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009R 3 m :H15.8887; 15.8887; 7.1202
90; 90; 120
1556.68Ertl, 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 MAP12
European Journal of Mineralogy, 2012, 24, 695-715
9015913 CIFAl8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018R 3 m :H15.9107; 15.9107; 7.1267
90; 90; 120
1562.42Ertl, 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 BLG1
European Journal of Mineralogy, 2012, 24, 695-715
9015914 CIFC2.64 H40.56 Al0.75 Ca18 Ce0.18 F0.39 Fe3.6 K1.17 Mn5.72 Na47.84 Nb0.87 O254.37 Si75.57 Sr2.43 Ti0.57 Zr9.24R 3 m :H14.2418; 14.2418; 30.1143
90; 90; 120
5289.73Nomura, S. F.; Atencio, D.; Chukanov, N. V.; Rastsvetaeva, R. K.; Coutinho, J. M. V.; Karipidis, T. K.
Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2010, 139, 35-47
9015915 CIFAl7.293 B3 Ca0.684 F0.711 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6R 3 m :H15.8286; 15.8286; 7.1012
90; 90; 120
1540.8Lussier, 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: L24, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015918 CIFBa O10 Sc2 Si3P 1 21/m 15.273; 11.9181; 6.591
90; 107.06; 90
395.98Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit
European Journal of Mineralogy, 2010, 22, 245-258
9015921 CIFAg0.51 Bi4 Cu0.463 Pb3.446 S10P n m a23.879; 4.0453; 19.017
90; 90; 90
1837Topa, D.; Makovicky, E.
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 6
The Canadian Mineralogist, 2010, 48, 1081-1107
9015922 CIFAl2 Ca0.982 H4 O10 Si2 Sr0.018C m c m5.8422; 8.7904; 13.1344
90; 90; 90
674.521Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU76
American Mineralogist, 2010, 95, 724-735
9015923 CIFFe Ge2 Li O6P 1 21/c 19.843; 8.794; 5.352
90; 108.7; 90
438.81Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A.
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 1.25 GPa
American Mineralogist, 2009, 94, 616-621

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