Crystallography Open Database

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9016228 CIFCu3 H6 O11 V2I 1 2/a 110.6418; 5.8485; 14.4157
90; 95.443; 90
893.17Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.
Orbital Switching in a Frustrated Magnet
Nature Communications, 2012, 3, 860-865
9016230 CIFH4 Na2 O11 Si2 Ti2P 15.383; 7.053; 12.17
93.16; 107.82; 90.06
439.135Khalilov, A. D.
Refinement of the crystal structure of murmanite and new data on its crystal-chemical characteristics
Mineralogiceskij Zhurnal, 1989, 11, 19-27
9016232 CIFC Ca O3P m c n4.9767; 8.0486; 5.8396
90; 90; 90
233.908Antao, 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 = 458 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016233 CIFMg48 O147 Si34P 143.5; 9.23; 7.27
90; 92; 84.75
2904.91Dodony, I.; Posfai, M.; Buseck, P. R.
Revised structure models for antigorite: An HRTEM study Note: n = 17
American Mineralogist, 2002, 87, 1443-1457
9016235 CIFAg0.331 Bi3.875 Cu0.203 Pb3.32 S10 Sb0.447P n m a23.652; 4.0539; 19.095
90; 90; 90
1830.88Topa, D.; Makovicky, E.
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 3
The Canadian Mineralogist, 2010, 48, 1081-1107
9016236 CIFBa0.02 Ca3.58 Ce0.46 Dy0.02 F2.82 Gd0.02 La0.18 Na2.2 Nb0.12 Nd0.18 O15.18 Pr0.06 Si4 Sm0.04 Sr0.14 Ti0.85 Y0.12 Zr0.03P 1 21/c 17.4263; 5.6774; 18.8261
90; 101.39; 90
778.115Camara, F.; Sokolova, E.; Hawthorne, F. C.
From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample YuksFe
Mineralogical Magazine, 2011, 75, 2755-2774
9016237 CIFCo0.008 Cu0.006 Fe0.316 Ir0.202 Ni0.421 Os0.003 Pt0.032 Rh0.006 Ru0.004P 63/m m c2.6939; 2.6939; 4.2732
90; 90; 120
26.856McDonald, A. M.; Proenza, J. A.; Zaccarini, F.; Rudashevsky, N. S.; Cabri, L. J.; Stanley, C. J.; Rudashevsky, V. N.; Melgarejo, J. C.; Lewis, J. F.; Longo, F.; Bakker, R. J.
Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from Loma Peguera, Dominican Republic
European Journal of Mineralogy, 2010, 22, 293-304
9016238 CIFAl1.608 Fe0.39 Mg O4F d -3 m :28.1463; 8.1463; 8.1463
90; 90; 90
540.606Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 960 min
European Journal of Mineralogy, 2012, 24, 633-643
9016239 CIFAl2 H4 O10 Si2 SrP 1 21/m 15.4231; 13.2761; 5.8583
90; 124.42; 90
347.936Liebscher, 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 #Pt100
American Mineralogist, 2010, 95, 724-735
9016240 CIFC Ca O3P m c n4.9664; 8.0126; 5.7898
90; 90; 90
230.398Antao, 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 = 258 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016241 CIFFe0.812 H1.554 K Mg2.188 O12 Si4C 1 2/m 15.34; 9.2376; 10.2414
90; 100.014; 90
497.499Scordari, 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_R29
Physics and Chemistry of Minerals, 2008, 35, 163-174
9016242 CIFAl1.99 Ca2 Cr0.42 Fe0.09 H Mg0.48 Mn0.02 O14 Si3C 1 2/m 119.174; 5.9194; 8.83
90; 97.497; 90
993.625Hamada, M.; Akasaka, M.; Seto, S.; Makino, K.
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1016
American Mineralogist, 2010, 95, 1294-1304
9016243 CIFAl0.5 Ca0.6 Fe La3.4 Mn0.5 Nb0.5 O22 Si4 Ti2.5P 1 21/a 113.668; 5.6601; 11.743
90; 113.64; 90
832.229Chukanov, N. V.; Blass, G.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Rastsvetaeva, R. K.; Aksenov, S. M.
Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral species from volcanic region Eifel, Germany
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 34-44
9016244 CIFCl6 Fe K3 NaR -3 c :R8.3376; 8.3376; 8.3376
92.29; 92.29; 92.29
578.166Beattie, J. K.; Moore, C. J.
Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III)
Inorganic Chemistry, 1982, 21, 1292-1295
9016246 CIFBa1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2C 1 2/m 119.905; 7.098; 5.405
90; 96.349; 90
758.966Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Zadov, A. E.; Van, K. V.; Blass, G.; Schuller, W.; Ternes, B.
Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group mineral from the Eifel volcanic area, Germany
European Journal of Mineralogy, 2012, 24, 181-188
9016247 CIFCa2 Fe2 O5P n m a5.3035; 14.4389; 5.4979
90; 90; 90
421.011Vanpeteghem, 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 = 0.0 Note: P = 9.73 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9016248 CIFLi Nb O3R -3 :H5.212; 5.212; 14.356
90; 90; 120
337.733Kumada, N.; Kinomura, N.; Muto, F.
Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~
Journal of the Ceramic Society of Japan, 1990, 98, 384-388
9016249 CIFO2 SiP 41 21 24.599; 4.599; 6.13
90; 90; 90
129.654Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 9.1 GPa
Physics and Chemistry of Minerals, 2011, 38, Online-first
9016250 CIFAl7.257 B3 Ca0.696 F0.666 Fe0.03 H3.333 Li1.68 Mn0.033 Na0.228 O30.333 Pb0.01 Si6R 3 m :H15.8248; 15.8248; 7.0993
90; 90; 120
1539.65Lussier, 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: L15, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9016252 CIFAg0.985 Cu0.005F m -3 m4.084; 4.084; 4.084
90; 90; 90
68.117Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V.
Native silver and its new structural modifications Note: Sample DV-300
International Geology Review, 1981, 23, 485-494
9016253 CIFAs3 Fe4 H10.8 K0.39 O19.1P -4 3 m7.9587; 7.9587; 7.9587
90; 90; 90
504.111Mills, S. J.; Kampf, A. R.; Williams, P. A.; Leverett, P.; Poirier, G.; Raudsepp, M.; Francis, C. A.
Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup from Cornwall, UK: structure and description
Mineralogical Magazine, 2010, 74, 863-869
9016254 CIFAl5.295 B3 Ca0.06 F0.3 Fe3.705 H3.23 Na0.94 O30.7 Si6R 3 m :H16.0393; 16.0393; 7.2536
90; 90; 120
1616.05Ertl, 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 bls1
American Mineralogist, 2012, 97, 1402-1416
9016256 CIFBa0.3 Ca0.7 Fe0.5 H18 K1.2 Mg0.15 Na0.15 O36 Si13P n m 216.538; 6.975; 37.26
90; 90; 90
1699.15Rastvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.
Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported
Doklady Chemistry, 2012, 442, 57-62
9016257 CIFMg O3 SiP b c a18.019; 8.668; 5.1073
90; 90; 90
797.703Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 5.21(7) GPa
American Mineralogist, 2012, 97, 1741-1748
9016258 CIFAs Ca Cu0.87 H Mg0.13 O5P 21 21 217.429; 5.852; 9.215
90; 90; 90
400.618Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R.
Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)
Journal of Mineralogical and Petrological Sciences, 2009, 104, 125-131
9016259 CIFC H2 Cl6 O4 Pb4P 1 21/m 14.2043; 9.199; 16.663
90; 91.82; 90
644.122Kutzke, H.; Klapper, H.; Merlino, S.; Pasero, M.; Perchiazzi, N.; Eggert, G.
The crystal structure of barstowite, Pb4Cl6(CO3)*H2O, determined on crystals from Etruscan slags and from a Late-Hellenistic shipwreck
Zeitschrift fur Kristallographie, 2000, 215, 110-113
9016260 CIFMn5 Si3P 63/m c m6.91; 6.91; 4.814
90; 90; 120
199.064Aronsson, B.
A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
Acta Chemica Scandinavica, 1960, 14, 1414-1418
9016263 CIFBa Be F O4 PF 16.889; 16.814; 6.902
90.01; 89.99; 90.32
799.458Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V.
Use of modern X-ray equipment to solve fine problems of structural mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F
Soviet Physics Crystallography, 1980, 25, 28-31
9016264 CIFC H Er O4P 21 21 216.9386; 4.7963; 8.4863
90; 90; 90
282.421Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.
Crystal chemistry of RE(CO3)OH
Zeitschrift fur Kristallographie, 2007, 222, 326-334
9016265 CIFMg O3 SiP b c a17.897; 8.575; 5.0664
90; 90; 90
777.524Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 9.36(5) GPa
American Mineralogist, 2012, 97, 1741-1748
9016266 CIFCa3.48 O67.73 Si24I m m a20.3266; 23.876; 12.8252
90; 90; 90
6224.3Arletti, R.; Quartieri, S.; Vezzalini, G.
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 0.0 GPa Note: assignment of site chemistry does not match chemical analysis
American Mineralogist, 2010, 95, 1247-1256
9016267 CIFAl1.61 Fe0.388 Mg O4F d -3 m :28.1475; 8.1475; 8.1475
90; 90; 90
540.845Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min
European Journal of Mineralogy, 2012, 24, 633-643
9016268 CIFAl7.728 B3 F0.14 H6 Mn1.272 Na0.674 O30.86 Si6R 3 m :H15.852; 15.852; 7.148
90; 90; 120
1555.55Ertl, 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 mnelb3h, heated in air at 750 C for 30 h
American Mineralogist, 2012, 97, 1402-1416
9016270 CIFAl Ge2 Li O6P 1 21/n 19.8976; 8.3985; 5.402
90; 110.64; 90
420.219Redhammer, G. J.; Nestola, F.; Miletich, R.
Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAF_L_tr
American Mineralogist, 2012, 97, 1213-1218
9016271 CIFAl K0.987 O4 SiP 3 1 c5.1588; 5.1588; 8.7383
90; 90; 120
201.398Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 200 K
American Mineralogist, 2010, 95, 1027-1034
9016273 CIFAl Fe3 H36 O42 S6P -3 1 c10.91; 10.91; 17.0625
90; 90; 120
1758.83Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.
Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc1
The Canadian Mineralogist, 2010, 48, 323-333
9016275 CIFCa0.16 Fe0.12 Mn0.16 Na6.42 O18 Si6 Sn0.04 Ti0.01 U0.02 Y0.14 Zr0.67R -3 m :H10.345; 10.345; 13.103
90; 90; 120
1214.4Grey, I. E.; Macrae, C. M.; Mumme, W. G.; Pring, A.
Townendite, Na8ZrSi6O18, a new uranium-bearing lovozerite group mineral from the Ilimaussaq alkaline complex, Southern Greenland
American Mineralogist, 2010, 95, 646-650
9016276 CIFAl7.194 B3 Ca0.641 F0.696 Fe0.021 H3.304 Li1.605 Mn0.18 Na0.288 O30.304 Pb0.023 Si6R 3 m :H15.8418; 15.8418; 7.1044
90; 90; 120
1544.07Lussier, 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: L6, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9016278 CIFAl0.32 O2 Si0.68R -3 m :R9.4; 9.4; 9.4
94.3; 94.3; 94.3
823.197Dent, L. S.; Smith, J. V.
Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located
Nature, 1958, 181, 1794-1796
9016283 CIFCa5 O12 P3 S0.5P -39.4619; 9.4619; 6.8342
90; 90; 120
529.877Henning, P. A.; Adolfsson, E.; Grins, J.
The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
Zeitschrift fur Kristallographie, 2000, 215, 226-230
9016284 CIFCa5.1 H3.92 Na3.62 O43.96 Si16P -19.576; 9.577; 16.438
85.85; 75.23; 60.142
1261.54Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Krivovichev, S. V.; Zolotarev, A. A.; Zalkind, O. A.
Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species from phonolite of the Aris alkaline complex, Namibia Note: This is reported as an incomplete structure
The Canadian Mineralogist, 2011, 49, 1165-1173
9016285 CIFH5 O15 Si4 Sr3 TiP 1 21/m 110.958; 7.778; 7.799
90; 100.9; 90
652.727Mizota, T.; Komatsu, M.; Chihara, K.
On the crystal structure of Sr3TiSi4O12(OH)*2H2O, a new mineral Note: paper is missing data for O8
Mineralogical Journal, 1973, 7, 302-305
9016286 CIFAs3 CoI m -38.2055; 8.2055; 8.2055
90; 90; 90
552.478Kjekshus, A.; Rakke, T.
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Acta Chemica Scandinavica A, 1974, 28, 99-103
9016287 CIFCa3 Mg4 O24 S6P 6316.581; 16.581; 7.348
90; 90; 120
1749.53Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P.
The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps of the Chelyabinsk coal basin, Russia
The Canadian Mineralogist, 2010, 48, 1469-1475
9016288 CIFC1.38 H11.58 Ba0.27 Ca17.1 Ce3.06 Cl0.93 Fe6.3 Hf0.18 K4.32 Mn9.3 Na39.02 Nb2.34 O270.63 Si86.85 Sr3.15 Zr8.82R 3 m :H14.281; 14.281; 30.243
90; 90; 120
5341.62Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P.
Crystal structure of a K analogue of Kentbrooksite
Doklady Chemistry, 2005, 403, 148-151
9016289 CIFFe1.1 Mg0.75 Mn0.15 O4 SiP b n m4.838; 10.49; 6.136
90; 90; 90
311.406Hazen, R. M.
Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 900 deg C,P = 1 atm
American Mineralogist, 1977, 62, 286-295
9016290 CIFCd0.002 Cu0.005 Fe0.023 In0.002 S Zn0.968F -4 3 m5.4159; 5.4159; 5.4159
90; 90; 90
158.859Nitta, E.; Kimata, M.; Hoshino, M.; Echigo, T.; Hamasaki, S.; Nishida, N.; Shimizu, M.; Akasak, T.
Crystal chemistry of ZnS minerals formed as high-temperature volcanic sublimates: matraite identical with sphalerite
Journal of Mineralogical and Petrological Sciences, 2008, 103, 145-151
9016292 CIFFe0.07 Mn0.18 Nb0.42 O4 Sc0.5 Sn0.2 Ta0.58 Ti0.05P 1 2/c 14.784; 5.693; 5.12
90; 91.15; 90
139.417Kolitsch, U.; Kristiansen, R.; Raade, G.; Tillmanns, E.
Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway
European Journal of Mineralogy, 2010, 22, 309-316
9016293 CIFFe0.999 Nb0.13 O6 Ta1.871P 42/m n m4.7547; 4.7547; 9.2893
90; 90; 90
210.005Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q1, treated at 600 C for 5 min
Mineralogical Magazine, 2006, 70, 319-328
9016294 CIFAs0.04 B3 Ca2.53 F14 Fe0.83 Mn0.93 Na1.17 Nd7.53 O34 P0.7 Pb0.03 Si6.26 Th0.09 Ti0.02 Y3.72R 3 m :H10.7527; 10.7527; 27.4002
90; 90; 120
2743.59Raade, G.; Grice, J. D.; Erambert, M.; Kristiansson, P.; Witzke, T.
Proshchenkoite-(Y) from Russia - a new mineral species in the vicanite group: Descriptive data and crystal structure
Mineralogical Magazine, 2008, 72, 1071-1082

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