Crystallography Open Database

Result : There are 191 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching journal of publication like 'Nature'

COD ID: 1008355
CIF file Formula: - Ba2.1 Cu3 O6 Y0.9 -
Comments: Bordet, P; Chaillout, C; Capponi, J J; Chenavas, J; Marezio, M Crystal structure of Y~0.9~ Ba~2.1~ Cu~3~ O~6~, a compound related to the high-T~c~ superconductor Y Ba~2~ Cu~3~ O~7~. Nature (London) 327 (1987) 687-689
Space group: P 4/m m m
Cell volume: 175.9
Cell parameters: 3.8715; 3.8715; 11.738; 90; 90; 90;  

COD ID: 1008369
CIF file Formula: - Ba4 Cu7 O14.3 Y2 -
Comments: Bordet, P; Chaillout, C; Chenavas, J; Hodeau, J L; Marezio, M; Karpinski, J; Kaldis, E Structure Determination of the new high-temperature Superconductor Y Ba Cu O (2/4/7/14.30) Nature (London) 334 (1988) 596-598
Space group: A m m m
Cell volume: 749.3
Cell parameters: 3.851; 3.869; 50.29; 90; 90; 90;  

COD ID: 1008815
CIF file Formula: - Bi O3 Sr -
Comments: Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V Discovery of a second family of bismuth-oxide-based superconductors Nature (London) 390 (1997) 148-150
Space group: P 1 21/n 1
Cell volume: 307.6
Cell parameters: 5.948; 6.0951; 8.4854; 90; 90.063; 90;  

COD ID: 1008816
CIF file Formula: - Bi K0.56 O3 Sr0.44 -
Comments: Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V Discovery of a second family of bismuth-oxide-based superconductors Nature (London) 390 (1997) 148-150
Space group: I 4/m c m
Cell volume: 297.9
Cell parameters: 5.9416; 5.9416; 8.4394; 90; 90; 90;  

COD ID: 1010411
CIF file Formula: - Cl5 P -
Comments: Powell, H M; Clark, D; Wells, A F Crystal Structure of Phosphorus Pentachloride Nature (London) 145 (1940) 149-149
Space group: P 4/n :1
Cell volume: 626.3
Cell parameters: 9.2; 9.2; 7.4; 90; 90; 90;  

COD ID: 1010412
CIF file Formula: - Mg2 Si -
Comments: Owen, E A; Preston, G D The atomic structure of two intermetallic compounds Nature (London) 113 (1924) 914-914
Space group: F m -3 m
Cell volume: 261
Cell parameters: 6.391; 6.391; 6.391; 90; 90; 90;  

COD ID: 1010413
CIF file Formula: - Cr O3 -
Comments: Wooster, W A; Wooster, N Crystal Structure of Chromium Trioxide Nature (London) 127 (1931) 782-782
Space group: C c m m
Cell volume: 230
Cell parameters: 8.5; 4.73; 5.72; 90; 90; 90;  

COD ID: 1010414
CIF file Formula: - Al F3 -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 131.6
Cell parameters: 4.93; 4.93; 6.25; 90; 90; 120;  

COD ID: 1010415
CIF file Formula: - F3 Fe -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 156
Cell parameters: 5.2; 5.2; 6.66; 90; 90; 120;  

COD ID: 1010416
CIF file Formula: - Co F3 -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 147
Cell parameters: 5.06; 5.06; 6.63; 90; 90; 120;  

COD ID: 1010417
CIF file Formula: - F3 Rh -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 140.4
Cell parameters: 4.88; 4.88; 6.81; 90; 90; 120;  

COD ID: 1010418
CIF file Formula: - F3 Pd -
Comments: Ketelaar, J A A Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium Nature (London) 128 (1931) 303-303
Space group: P 3 2 1
Cell volume: 156.4
Cell parameters: 5.05; 5.05; 7.08; 90; 90; 120;  

COD ID: 1010419
CIF file Formula: - Na O3 W -
Comments: Haegg, G The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points Nature (London) 135 (1935) 874-874
Space group: P m -3 m
Cell volume: 57.1
Cell parameters: 3.85; 3.85; 3.85; 90; 90; 90;  

COD ID: 1010420
CIF file Formula: - Na0.35 O3 W -
Comments: Haegg, G The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points Nature (London) 135 (1935) 874-874
Space group: P m -3 m
Cell volume: 55.4
Cell parameters: 3.813; 3.813; 3.813; 90; 90; 90;  

COD ID: 1010421
CIF file Formula: - Bi Br O -
Comments: Bannister, F A Crystal Structure of Bismuth Oxyhalides Nature (London) 134 (1934) 856-857
Space group: P 4/n m m :1
Cell volume: 124.6
Cell parameters: 3.92; 3.92; 8.11; 90; 90; 90;  

COD ID: 1010422
CIF file Formula: - Bi I O -
Comments: Bannister, F A Crystal Structure of Bismuth Oxyhalides Nature (London) 134 (1934) 856-857
Space group: P 4/n m m :1
Cell volume: 120.6
Cell parameters: 4.09; 4.09; 7.21; 90; 90; 90;  

COD ID: 1010540
CIF file Formula: - Br H4 N -
Comments: Ketelaar, J A A Crystal Structure of the Low Temperature Modification of Ammonium Bromide Nature (London) 134 (1934) 250-251
Space group: P 4/n m m :1
Cell volume: 145.6
Cell parameters: 6.007; 6.007; 4.035; 90; 90; 90;  

COD ID: 1010776
CIF file Formula: - C Cl3 F -
Comments: Wouters, J; De Hemptinne, M Interatomic distances of F C Cl~3~ and F C Br~3~ Nature (London) 141 (1938) 412-413
Space group:
Cell volume:
Cell parameters: ; ; ; ; ; ;  

COD ID: 1010777
CIF file Formula: - Br3 F -
Comments: Wouters, J; De Hemptinne, M Interatomic distances of F C Cl~3~ and F C Br~3~ Nature (London) 141 (1938) 412-413
Space group:
Cell volume:
Cell parameters: ; ; ; ; ; ;  

COD ID: 1010780
CIF file Formula: - H63 O70 P W12 -
Comments: Keggin, J F Structure of the crystals of 12-phosphotungstic acid Nature (London) 132 (1933) 351-351
Space group:
Cell volume: 12618.4
Cell parameters: 23.281; 23.281; 23.281; 90; 90; 90;  

COD ID: 1010785
CIF file Formula: - Fe2 N6 Na -
Comments: Keggin, J F; Miles, F D Structures and formulae of the prussian blues and related compounds Nature (London) 137 (1936) 577-578
Space group:
Cell volume: 1061.2
Cell parameters: 10.2; 10.2; 10.2; 90; 90; 90;  

COD ID: 1010786
CIF file Formula: - Fe2 N6 Na2 -
Comments: Keggin, J F; Miles, F D Structures and formulae of the prussian blues and related compounds Nature (London) 137 (1936) 577-578
Space group:
Cell volume: 132.7
Cell parameters: 5.1; 5.1; 5.1; 90; 90; 90;  

COD ID: 1011032
CIF file Formula: - Fe3 O4 -
Comments: Bragg, W. H. The Structure of Magnetite and the Spinels Nature (London) 95 (1915) 561-561
Space group: F d -3 m :1
Cell volume: 575.9
Cell parameters: 8.32; 8.32; 8.32; 90; 90; 90;  

COD ID: 1011173
CIF file Formula: - Mg O -
Comments: Bragg, W L Crystal structure Nature (London) 105 (1920) 646-648
Space group: F m -3 m
Cell volume: 75.2
Cell parameters: 4.22; 4.22; 4.22; 90; 90; 90;  

COD ID: 1011174
CIF file Formula: - O5 V2 -
Comments: Ketelaar, J A A Crystal structure and shape of colloidal particles of vanadium pentoxide Nature (London) 137 (1936) 316-316
Space group: P m n 21
Cell volume: 177.9
Cell parameters: 11.48; 4.36; 3.555; 90; 90; 90;  

COD ID: 1011175
CIF file Formula: - Bi Cl O -
Comments: Bannister, F A Crystal structure of bismuth oxyhalides Nature (London) 134 (1934) 856-857
Space group: P 4/n m m :1
Cell volume: 111.5
Cell parameters: 3.89; 3.89; 7.37; 90; 90; 90;  

COD ID: 1011177
CIF file Formula: - Al H24 K O20 S2 -
Comments: Beevers, C A; Lipson, H Crystal structure of the alums Nature (London) 134 (1934) 327-327
Space group: P a -3
Cell volume: 1806.9
Cell parameters: 12.18; 12.18; 12.18; 90; 90; 90;  

COD ID: 1011282
CIF file Formula: - F Na -
Comments: Bragg, W L Crystal structure of Na F Nature (London) 105 (1920) 646-648
Space group: F m -3 m
Cell volume: 109.2
Cell parameters: 4.78; 4.78; 4.78; 90; 90; 90;  

COD ID: 1011365
CIF file Formula: - Al Sb -
Comments: Owen, E A; Preston, G D The atomic structure of two intermetallic compounds Nature (London) 113 (1924) 914-914
Space group: F -4 3 m
Cell volume: 229.9
Cell parameters: 6.126; 6.126; 6.126; 90; 90; 90;  

COD ID: 1505005
CIF file Formula: - C90 H91 N2 O7 P2 -
Comments: Čorić, Ilija; List, Benjamin Asymmetric spiroacetalization catalysed by confined Brønsted acids. Nature 483(7389) (2012) 315-319
Space group: P 21 21 21
Cell volume: 7782.5
Cell parameters: 15.4764; 16.426; 30.614; 90; 90; 90;  

COD ID: 1508227
CIF file Formula: - C8 Co8 N8 O34 P8 -
Comments: Feng, Pingyun; Bu, Xianhui; Stucky, Galen D. Hydrothermal syntheses and structural characterization of zeolite analogue compounds based on cobalt phosphate Nature 388 (1997) 735-741
Space group: I -4 2 m
Cell volume: 1012.09
Cell parameters: 10.24; 10.24; 9.652; 90; 90; 90;  

COD ID: 1509135
CIF file Formula: - C28 H38 -
Comments: Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A. Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces. Nature 477(7364) (2011) 308-311
Space group: P 1 21/a 1
Cell volume: 1894.13
Cell parameters: 13.2994; 10.3952; 14.194; 90; 105.149; 90;  

COD ID: 1509136
CIF file Formula: - C28 H38 -
Comments: Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A. Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces. Nature 477(7364) (2011) 308-311
Space group: P 1 21/c 1
Cell volume: 1946.45
Cell parameters: 10.1195; 16.183; 12.5912; 90; 109.271; 90;  

COD ID: 1509137
CIF file Formula: - C32 H42 -
Comments: Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A. Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces. Nature 477(7364) (2011) 308-311
Space group: P -1
Cell volume: 1077.29
Cell parameters: 7.7202; 11.3237; 13.3783; 111.818; 91.43; 95.982;  

COD ID: 1510740
CIF file Formula: - B2 Be2 O7 Sr2 -
Comments: Wu, K.-C.; Zeng, W.-I.; Chen, C.-T.; Wu, B.-C.; Yu, L.-H.; Wang, Y.-B. Design and synthesis of an ultraviolet-transparent nonlinear optical crystal Sr2 Be2 B2 O7 Nature (London) 373 (1995) 322-324
Space group: P -6 c 2
Cell volume: 290.792
Cell parameters: 4.683; 4.683; 15.311; 90; 90; 120;  

COD ID: 1510743
CIF file Formula: - B2 La3 N3 Ni2 -
Comments: Jansen, J.; Peck, W.F.jr.; Krajewski, J.J.; Zandbergen, H.W.; Cava, R.J. Structure of the 13 K superconductor La3 Ni2 B2 N3 and the related phase La Ni B N Nature (London) 372 (1994) 759-761
Space group: I 4/m m m
Cell volume: 287.58
Cell parameters: 3.73; 3.73; 20.67; 90; 90; 90;  

COD ID: 1510803
CIF file Formula: - B2 Os -
Comments: Stenberg, E.; Aronsson, B.; Aselius, J. Borides of ruthenium, osmium and iridium Nature (London) 195 (1962) 377-378
Space group: P m m n :2
Cell volume: 55.101
Cell parameters: 4.684; 2.872; 4.096; 90; 90; 90;  

COD ID: 1510818
CIF file Formula: - B2 Ru -
Comments: Aselius, J.; Aronsson, B.; Stenberg, E. Borides of ruthenium, osmium and iridium Nature (London) 195 (1962) 377-378
Space group: P m m n :2
Cell volume: 53.831
Cell parameters: 4.645; 2.865; 4.045; 90; 90; 90;  

COD ID: 1511203
CIF file Formula: - B La N Ni -
Comments: Jansen, J.; Krajewski, J.J.; Zandbergen, H.W.; Peck, W.F.jr.; Cava, R.J. Structure of the 13 K superconductor La3 Ni2 B2 N3 and the related phase La Ni B N Nature (London) 372 (1994) 759-761
Space group: P 4/n m m :2
Cell volume: 106.295
Cell parameters: 3.73; 3.73; 7.64; 90; 90; 90;  

COD ID: 1511344
CIF file Formula: - B1.5 Ir -
Comments: Stenberg, E.; Aronsson, B.; Aselius, J. Borides of ruthenium, osmium and iridium Nature (London) 195 (1962) 377-378
Space group: C 1 2/m 1
Cell volume: 186.681
Cell parameters: 10.52; 2.91; 6.099; 90; 91; 90;  

COD ID: 1511515
CIF file Formula: - B4 Si -
Comments: Brosset, C.; Magnusson, B. The Silicon - Boron System Nature (London) 187 (1960) 54-55
Space group: R -3 m :H
Cell volume: 439.618
Cell parameters: 6.319; 6.319; 12.713; 90; 90; 120;  

COD ID: 1513174
CIF file Formula: - C231 H700 F20 Ge80 N21 O524 Si112 -
Comments: Sun, Junliang; Bonneau, Charlotte; Cantín, Ángel; Corma, Avelino; Díaz-Cabañas, María J.; Moliner, Manuel; Zhang, Daliang; Li, Mingrun; Zou, Xiaodong The ITQ-37 mesoporous chiral zeolite. Nature 458(7242) (2009) 1154-1157
Space group: P 41 3 2
Cell volume: 18636.2
Cell parameters: 26.51263; 26.51263; 26.51263; 90; 90; 90;  

COD ID: 1520216
CIF file Formula: - Ba2 Cu Hg O4.1 -
Comments: Putilin, S.N.; Antipov, E.V.; Chmaissem, O.; Marezio, M. Superconductivity at 94 K in Hg Ba2 Cu O4+delta Nature 362 (1993) 226-228
Space group: P 4/m m m
Cell volume: 142.954
Cell parameters: 3.87766; 3.87766; 9.5073; 90; 90; 90;  

COD ID: 1522696
CIF file Formula: - Pt8 Ti -
Comments: Pietrokowsky, P. Novel ordered phase, Pt8 Ti Nature (London) 206 (1965) 291-291
Space group: I 4/m m m
Cell volume: 269.241
Cell parameters: 8.312; 8.312; 3.897; 90; 90; 90;  

COD ID: 1523304
CIF file Formula: - Nb0.2 Ti0.8 -
Comments: Brown, A.R.G.; Clark, D.; Eastabrook, J.; Jepson, K.S. The titanium-niobium system Nature (London) 201 (1964) 914-915
Space group: C m c m
Cell volume: 71.491
Cell parameters: 3.166; 4.854; 4.652; 90; 90; 90;  

COD ID: 1523598
CIF file Formula: - Re0.22 W0.78 -
Comments: Federer, J.I.; Steele, R.M. Identification of a beta-tungsten phase in tungsten- rhenium alloys Nature (London) 205 (1965) 587-588
Space group: P m -3 n
Cell volume: 126.37
Cell parameters: 5.0182; 5.0182; 5.0182; 90; 90; 90;  

COD ID: 1524454
CIF file Formula: - O0.12 U0.88 -
Comments: Gronvold, F.; Haraldsen, H. Oxidation of Uranium Dioxide (U O2) Nature (London) 162 (1948) 69-70
Space group: P 4/m m m
Cell volume: 160.641
Cell parameters: 5.38; 5.38; 5.55; 90; 90; 90;  

COD ID: 1525196
CIF file Formula: - Cd0.899592 Na0.161633 -
Comments: Samson, S. Crystal structure of Na Cd2 Nature (London) 195 (1962) 259-262
Space group: F d -3 m :1
Cell volume: 28540.4
Cell parameters: 30.56; 30.56; 30.56; 90; 90; 90;  

COD ID: 1527571
CIF file Formula: - Al1.11 Ca11.76 Cl1.05 O19.82 Si3.33 -
Comments: Ilyukhin, V.V.; Nevskii, N.N.; Howie, R.A.; Bickbau, M.J. Crystal structure of alinite Nature (London) 269 (1977) 397-398
Space group: I -4 2 m
Cell volume: 944.867
Cell parameters: 10.4714; 10.4714; 8.6171; 90; 90; 90;  

COD ID: 1528382
CIF file Formula: - As2 Mo -
Comments: Brown, A. Structure data for some arsenic- and germanium-rich compounds of molybdenum Nature (London) 206 (1965) 502-503
Space group: C 1 2 1
Cell volume: 201.289
Cell parameters: 9.067; 3.3; 7.718; 90; 119.35; 90;  

COD ID: 1528383
CIF file Formula: - As2 Mo0.4 -
Comments: Brown, A. Structure data for some Arsenic- and Germanium-rich Compounds of Molybdenum Nature (London) 206 (1965) 502-503
Space group: P n n m
Cell volume: 91.466
Cell parameters: 5.299; 5.983; 2.885; 90; 90; 90;  

COD ID: 1528384
CIF file Formula: - Ge2 Mo -
Comments: Brown, A. Structure data for some arsenic- and germanium-rich compounds of molybdenum Nature (London) 206 (1965) 502-503
Space group: P n m a
Cell volume: 187.857
Cell parameters: 6.343; 3.451; 8.582; 90; 90; 90;  

COD ID: 1528620
CIF file Formula: - H2 O -
Comments: Kamb, W.B.; Datta, S.K. Crystal structures of the high-pressure froms of ice: Ice III Nature (London) 187 (1960) 140-141
Space group: P 41 21 2
Cell volume: 314.432
Cell parameters: 6.8; 6.8; 6.8; 90; 90; 90;  

COD ID: 1529442
CIF file Formula: - C305 Al334 N38 Na296 O3692 Si1106 -
Comments: Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong A zeolite family with expanding structural complexity and embedded isoreticular structures Nature 524(7563) (2015) 74-78
Space group: I m -3 m
Cell volume: 91557.6
Cell parameters: 45.0711; 45.0711; 45.0711; 90; 90; 90;  

COD ID: 1529443
CIF file Formula: - Al325 Na285 O3726 Si1115 -
Comments: Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong A zeolite family with expanding structural complexity and embedded isoreticular structures Nature 524(7563) (2015) 74-78
Space group: I m -3 m
Cell volume: 90665
Cell parameters: 44.9242; 44.9242; 44.9242; 90; 90; 90;  

COD ID: 1529444
CIF file Formula: - C448 Al638 N56 Na162 O5843 Si2002 Sr210 -
Comments: Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong A zeolite family with expanding structural complexity and embedded isoreticular structures Nature 524(7563) (2015) 74-78
Space group: I m -3 m
Cell volume: 166772
Cell parameters: 55.0437; 55.0437; 55.0437; 90; 90; 90;  

COD ID: 1529445
CIF file Formula: - C448 Al638 N56 Na560 O5866 Si2002 Sr11 -
Comments: Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong A zeolite family with expanding structural complexity and embedded isoreticular structures Nature 524(7563) (2015) 74-78
Space group: I m -3 m
Cell volume: 166978
Cell parameters: 55.0664; 55.0664; 55.0664; 90; 90; 90;  

COD ID: 1530728
CIF file Formula: - O2 Si -
Comments: Schlenker, J.L.; Dwyer, F.G.; Jenkins, E.E.; Kokotailo, G.T.; Rohrbaugh, W.J.; Meier, W.M. Crystal structure of a synthetic high silica zeolite-ZSM-39 Nature (London) 294 (1981) 340-342
Space group: F d -3 m :2
Cell volume: 7256.31
Cell parameters: 19.36; 19.36; 19.36; 90; 90; 90;  

COD ID: 1530881
CIF file Formula: - Al11 Li0.57 Na0.45 O17 -
Comments: Tofield, B.C.; Farrington, G.C. Structure of lithium-sodium beta-alumina by powder neutron diffraction Nature (London) 278 (1979) 438-439
Space group: P 63/m m c
Cell volume: 610.948
Cell parameters: 5.5923; 5.5923; 22.5576; 90; 90; 120;  

COD ID: 1532748
CIF file Formula: - C2 B50 -
Comments: Will, G.; Ploog, K. Crystal structure of I-tetragonal boron Nature (London) 251 (1974) 406-408
Space group: P 42/n n m :1
Cell volume: 386.452
Cell parameters: 8.722; 8.722; 5.08; 90; 90; 90;  

COD ID: 1534327
CIF file Formula: - Ca8 H12 O29 P6 -
Comments: Brown, Walter E. Octacalcium phosphate and hydroxyapatite Nature (London) 196 (1962) 1048-1050
Space group: P -1
Cell volume: 1243.29
Cell parameters: 19.87; 9.63; 6.875; 89.28; 92.22; 108.95;  

COD ID: 1535770
CIF file Formula: - H0.23 O3 W -
Comments: Dickens, P.G.; Hurditch, R.J. X-ray and neutron diffraction studies of a tetragonal hydrogen bronze = Hx W O3 Nature (London) 215 (1967) 1266-1267
Space group: P 4/n m m :1
Cell volume: 106.096
Cell parameters: 5.2285; 5.2285; 3.881; 90; 90; 90;  

COD ID: 1537320
CIF file Formula: - As Nb -
Comments: Furuseth, S.; Kjekshus, A. Arsenides and Antimonides of Niobium Nature (London) 203 (1964) 512-512
Space group: I 41
Cell volume: 139.158
Cell parameters: 3.4517; 3.4517; 11.68; 90; 90; 90;  

COD ID: 1537664
CIF file Formula: - Cu3 Nd0.76 O8 Pb2 Sr2.24 -
Comments: Cava, R.J.; Gallagher, P.K.; Batlogg, B.; Krajewski, J.J.; Rupp, L.W.jr.; Schneemeyer, L.F.; Siegrist, T.; Waszczak, J.V.; van Dover, R.B.; Hull, R.; Marsh, P.; Glarum, S.H.; Marshall, J.H.; Peck, W.F.jr.; Trevor, P.L.; Farrow, R.F.C. Superconductivity near 70 K in a new family of layered copper oxides Nature (London) 336 (1988) 211-214
Space group: C m m m
Cell volume: 469.629
Cell parameters: 5.435; 5.463; 15.817; 90; 90; 90;  

COD ID: 1538028
CIF file Formula: - Nb3 Si -
Comments: Galasso, F.; Bayles, B.; Soehle, S. Superconducting alloys of the Nb3 Snx M1-x type Nature (London) 198 (1963) 984-984
Space group: P m -3 m
Cell volume: 75.151
Cell parameters: 4.22; 4.22; 4.22; 90; 90; 90;  

COD ID: 1538103
CIF file Formula: - In1.4 Sb0.6 -
Comments: Giessen, B.C.; Kane, R.H.; Grant, N.J. A metastable intermediate phase in the system indium - indium antimony Nature (London) 207 (1965) 854-855
Space group: P 63/m m c
Cell volume: 26.518
Cell parameters: 3.205; 3.205; 2.981; 90; 90; 120;  

COD ID: 1538548
CIF file Formula: - Br D -
Comments: Sandor, E.; Johnson, M.W. Crystal structure and the lower phase transition in solid deuterium bromide Nature (London) 217 (1968) 541-543
Space group: B b 21 m
Cell volume: 186.906
Cell parameters: 5.44; 5.614; 6.12; 90; 90; 90;  

COD ID: 1538549
CIF file Formula: - H2 S -
Comments: Sandor, E.; Ogunade, S.O. Structure and Phase Transition in Solid Hydrogen and Deuterium sulphides Nature (London) 224 (1969) 905-907
Space group: P 42/m n m
Cell volume: 187.484
Cell parameters: 6.754; 6.754; 4.11; 90; 90; 90;  

COD ID: 1538550
CIF file Formula: - D2 S -
Comments: Sandor, E.; Ogunade, S.O. Structure and phase transition in solid hydrogen and deuterium sulphides Nature (London) 224 (1969) 905-907
Space group: P 42
Cell volume: 744.089
Cell parameters: 13.47; 13.47; 4.101; 90; 90; 90;  

COD ID: 1538551
CIF file Formula: - D2 S -
Comments: Sandor, E.; Ogunade, S.O. Structure and phase transition in solid hydrogen and deuterium sulphides Nature (London) 224 (1969) 905-907
Space group: P a -3
Cell volume: 189.02
Cell parameters: 5.739; 5.739; 5.739; 90; 90; 90;  

COD ID: 1539075
CIF file Formula: - Ir2 P -
Comments: Rundqvist, S. Phosphides of the platinum metals Nature (London) 185 (1960) 31-32
Space group: F m -3 m
Cell volume: 170.308
Cell parameters: 5.543; 5.543; 5.543; 90; 90; 90;  

COD ID: 1539227
CIF file Formula: - Ba0.96 Bi K0.04 O3 -
Comments: Schneemeyer, L.F.; Thomas, J.K.; Siegrist, T.; Batlogg, B.; Rupp, L.W.jr.; Murphy, D.W.; Cava, R.J.; Opila, R.L. Growth and structural characterization of superconducting Ba1-x Kx Bi O3 Single Crystals Nature (London) 335 (1988) 421-423
Space group: I m m m
Cell volume: 325.903
Cell parameters: 6.1298; 6.1374; 8.6628; 90; 90; 90;  

COD ID: 1539379
CIF file Formula: - Ca0.86 Cu O2 Sr0.14 -
Comments: Siegrist, T.; Roth, R.S.; Zahurak, S.M.; Murphy, D.W. The parent structure of the layered high-temperature superconductors Nature (London) 334 (1988) 231-232
Space group: P 4/m m m
Cell volume: 47.698
Cell parameters: 3.8611; 3.8611; 3.1995; 90; 90; 90;  

COD ID: 1539501
CIF file Formula: - Mg P2 Si -
Comments: Springthorpe, A.J.; Harrison, J.G. Mg Si P2: a new member of the II IV V2 family of semiconducting compounds Nature (London) 222 (1969) 977-977
Space group: I -4 2 d
Cell volume: 330.408
Cell parameters: 5.721; 5.721; 10.095; 90; 90; 90;  

COD ID: 1539762
CIF file Formula: - H2 K O4 P -
Comments: Endo, S.; Chino, T.; Tsuboi, S.; Koto, K. Pressure-induced transition of the hydrogen bond in the ferroelectric compounds K H2 P O4 and K D2 P O4 Nature (London) 340 (1989) 452-455
Space group: I -4 2 d
Cell volume: 360.562
Cell parameters: 7.278; 7.278; 6.807; 90; 90; 90;  

COD ID: 1539905
CIF file Formula: - Si2 U -
Comments: Brown, A.; Norreys, J.J. beta-polymorphs of uranium and thorium disilicides. Nature (London) 183 (1959) 673-673
Space group: P 6/m m m
Cell volume: 54.125
Cell parameters: 4.028; 4.028; 3.852; 90; 90; 120;  

COD ID: 1540304
CIF file Formula: - Tl -
Comments: Lipson, H.; Stokes, A.R. Structures of thallium Nature (London) 148 (1941) 437-437
Space group: P 63/m m c
Cell volume: 56.821
Cell parameters: 3.4496; 3.4496; 5.5137; 90; 90; 120;  

COD ID: 1541008
CIF file Formula: - C60 K3 -
Comments: Stephens, P.W.; Mihaly, L.; Kaner, R.; Whetten, R.L.; Lee, P.-L.; Huang, S.-M.; Deiderich, F.; Holczer, K. Structure of single-phase superconducting K3 C60 Nature (London) 351 (1991) 632-634
Space group: F m -3 m
Cell volume: 2887.55
Cell parameters: 14.24; 14.24; 14.24; 90; 90; 90;  

COD ID: 1541404
CIF file Formula: - C -
Comments: Grenville-Wells, H.J.; Lonsdale, K. X-ray study of laboratory-made diamonds Nature (London) 181 (1958) 758-759
Space group: F d -3 m :1
Cell volume: 44.362
Cell parameters: 3.54; 3.54; 3.54; 90; 90; 90;  

COD ID: 1541453
CIF file Formula: - Mn3 O Ti3 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1367.63
Cell parameters: 11.1; 11.1; 11.1; 90; 90; 90;  

COD ID: 1541455
CIF file Formula: - Fe3 O Ti3 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1382.47
Cell parameters: 11.14; 11.14; 11.14; 90; 90; 90;  

COD ID: 1541457
CIF file Formula: - Co3 O Ti3 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1389.93
Cell parameters: 11.16; 11.16; 11.16; 90; 90; 90;  

COD ID: 1541459
CIF file Formula: - Ni3 O Ti3 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1397.42
Cell parameters: 11.18; 11.18; 11.18; 90; 90; 90;  

COD ID: 1541461
CIF file Formula: - Cu3 O Ti3 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1420.04
Cell parameters: 11.24; 11.24; 11.24; 90; 90; 90;  

COD ID: 1541463
CIF file Formula: - Mn2 O Ti4 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1331
Cell parameters: 11; 11; 11; 90; 90; 90;  

COD ID: 1541465
CIF file Formula: - Fe2 O Ti4 -
Comments: Karlsson, N. Metallic OXides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1446.73
Cell parameters: 11.31; 11.31; 11.31; 90; 90; 90;  

COD ID: 1541467
CIF file Formula: - Co2 O Ti4 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1450.57
Cell parameters: 11.32; 11.32; 11.32; 90; 90; 90;  

COD ID: 1541469
CIF file Formula: - Ni2 O Ti4 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1469.88
Cell parameters: 11.37; 11.37; 11.37; 90; 90; 90;  

COD ID: 1541471
CIF file Formula: - Cu2 O Ti4 -
Comments: Karlsson, N. Metallic Oxides with the Structure of High-speed Steel Carbide Nature (London) 168 (1951) 558-558
Space group: F d -3 m :1
Cell volume: 1497.19
Cell parameters: 11.44; 11.44; 11.44; 90; 90; 90;  

COD ID: 1541503
CIF file Formula: - H2 O -
Comments: Lisgarten, N.D.; Blackman, M. The Cubic Form of Ice Nature (London) 178 (1956) 39-40
Space group: F d -3 m :1
Cell volume: 256.169
Cell parameters: 6.351; 6.351; 6.351; 90; 90; 90;  

COD ID: 1541535
CIF file Formula: - Al59 Ca11.74 Ce5.76 H114.56 Na18.24 O441.28 Si133 -
Comments: Olson, D.H.; Kokotailo, G.T.; Charnell, J.F. Crystal structure of cerium(III) exchanged faujasite Nature (London) 215 (1967) 270-271
Space group: F d -3 m :2
Cell volume: 14886.9
Cell parameters: 24.6; 24.6; 24.6; 90; 90; 90;  

COD ID: 1541541
CIF file Formula: - Ar -
Comments: Dobbs, E.R.; Figgins, B.F.; Jones, G.O.; Piercey, D.C.; Riley, D.P. Density and expansivity of solid argon Nature (London) 178 (1956) 483-483
Space group: F m -3 m
Cell volume: 157.464
Cell parameters: 5.4; 5.4; 5.4; 90; 90; 90;  

COD ID: 1541571
CIF file Formula: - O2.34 U -
Comments: Gronvold, F.; Haraldsen, H. Oxidation of Uranium Dioxide (U O2) Nature (London) 162 (1948) 69-70
Space group: F m -3 m
Cell volume: 158.34
Cell parameters: 5.41; 5.41; 5.41; 90; 90; 90;  

COD ID: 1541642
CIF file Formula: - Co O -
Comments: Redman, M.J.; Steward, E.G. Cobaltous Oxide with the Zinc Blende / Wurtzite-type Crystal Structure Nature (London) 193 (1962) 867-867
Space group: F m -3 m
Cell volume: 76.225
Cell parameters: 4.24; 4.24; 4.24; 90; 90; 90;  

COD ID: 1541644
CIF file Formula: - Ca O3 Sn -
Comments: Rooksby, H.P. Compounds of the Structural Type of Calcium Titanate Nature (London) 155 (1945) 484-484
Space group: F m -3 m
Cell volume: 491.169
Cell parameters: 7.89; 7.89; 7.89; 90; 90; 90;  

COD ID: 1541662
CIF file Formula: - Co O -
Comments: Tombs, N.C.; Rooksby, H.P. Structure of Monoxides of some Transition Elements at Low Temperatures Nature (London) 165 (1950) 442-443
Space group: F m -3 m
Cell volume: 77.2
Cell parameters: 4.258; 4.258; 4.258; 90; 90; 90;  

COD ID: 1541665
CIF file Formula: - O2 U -
Comments: Wasserstein, B. Cube-edges of uraninites as a criterion of age Nature (London) 168 (1951) 380-381
Space group: F m -3 m
Cell volume: 163.219
Cell parameters: 5.465; 5.465; 5.465; 90; 90; 90;  

COD ID: 1541697
CIF file Formula: - Al7.9968 O192 Si88.0032 -
Comments: Kokotailo, G.T.; Meier, W.M.; Chu, P.A.; Lawton, S.L. Synthesis and structure of synthetic zeolite ZSM-11 Nature (London) 275 (1978) 119-1120
Space group: I -4 m 2
Cell volume: 5440.71
Cell parameters: 20.12; 20.12; 13.44; 90; 90; 90;  

COD ID: 1541726
CIF file Formula: - B P -
Comments: Popper, P.; Ingles, T.A. Boron Phosphide, a III - V Compound of Zinc-Blende Structure Nature (London) 179 (1957) 1075-1075
Space group: F -4 3 m
Cell volume: 94.196
Cell parameters: 4.55; 4.55; 4.55; 90; 90; 90;  

COD ID: 1541819
CIF file Formula: - Ba Fe18 O27 -
Comments: Braun, P.B. Crystal structure of Ba Fe18 O27 Nature (London) 170 (1952) 708-708
Space group: P 63/m m c
Cell volume: 983.305
Cell parameters: 5.88; 5.88; 32.84; 90; 90; 120;  

COD ID: 1541821
CIF file Formula: - N2 O4 -
Comments: Broadley, J.S.; Robertson, J.M. Structure of dinitrogen tetroxide Nature (London) 164 (1949) 915-915
Space group: I m -3
Cell volume: 469.097
Cell parameters: 7.77; 7.77; 7.77; 90; 90; 90;  

COD ID: 1541958
CIF file Formula: - Fe5 Li O8 -
Comments: Braun, P.B. A superstructure in spinels Nature (London) 170 (1952) 1123-1123
Space group: P 43 3 2
Cell volume: 578.01
Cell parameters: 8.33; 8.33; 8.33; 90; 90; 90;  

COD ID: 1541974
CIF file Formula: - I4 S16 Sn -
Comments: Hawes, L.L. A semi-bonded compound in series Sn I4 S8 Nature (London) 196 (1962) 766-767
Space group: F d d 2
Cell volume: 5171.71
Cell parameters: 20.83; 21.76; 11.41; 90; 90; 90;  

COD ID: 1541990
CIF file Formula: - Ca0.96 Mn0.32 O2.56 Si0.64 -
Comments: Goldschmidt, H.J.; Rait, J.R. Silicates of the Perovskite Type of Structure Nature (London) 152 (1943) 356-356
Space group: P m -3 m
Cell volume: 53.157
Cell parameters: 3.76; 3.76; 3.76; 90; 90; 90;  

COD ID: 1542127
CIF file Formula: - H4 N O3 P -
Comments: Ketelaar, J.A.A.; MacGillavry, C.H. Crystal structure of ammonium tetrametaphosphate Nature (London) 164 (1949) 960-961
Space group: C m c e
Cell volume: 1432.08
Cell parameters: 10.4; 10.8; 12.75; 90; 90; 90;  

COD ID: 1542141
CIF file Formula: - Cl3 Cs Pb -
Comments: Moller, C.K. A Phase Transition in Cesium Plumbochloride Nature (London) 180 (1957) 981-982
Space group: P m -3 m
Cell volume: 175.522
Cell parameters: 5.599; 5.599; 5.599; 90; 90; 90;  

COD ID: 1542142
CIF file Formula: - Cl3 Cs Pb -
Comments: Moller, C.K. The structure of perovskite-like cesium plumbo trihalides Nature (London) 182 (1958) 1436-1436
Space group: P m -3 m
Cell volume: 176.087
Cell parameters: 5.605; 5.605; 5.605; 90; 90; 90;  

COD ID: 1544344
CIF file Formula: - Cr O4 P -
Comments: Attfield, J.P.; Sleight, A.W.; Cheetham, A.K. Structure determination of alpha-CrPO4 from powder synchrotron X-ray data Nature 322 (1986) 620-622
Space group: I m m a
Cell volume: 845.56
Cell parameters: 10.40583; 12.89952; 6.29933; 90; 90; 90;  

COD ID: 1544550
CIF file Formula: - As Fe O4 -
Comments: Cheetham, A.K.; David, W.I.F.; Eddy, M.M.; Jakeman, R.J.B.; Johnson, M.W.; Torardi, C.C. Crystal structure determination by powder neutron diffraction at the spallation neutron source, ISIS Nature 320 (1986) 46-48
Space group: P 1 21/n 1
Cell volume: 296.55
Cell parameters: 7.5636; 8.0795; 5.0117; 90; 104.47; 90;  

COD ID: 1545646
CIF file Formula: - Ga2 H11 O13 P3 -
Comments: Morris, Russell E.; Harrison, William T. A.; Nicol, Jacqueline M.; Wilkinson, Angus P.; Cheetham, Anthony K. Determination of complex structures by combined neutron and synchrotron X-ray powder diffraction Nature 359 (1992) 519-522
Space group: P 1 21 1
Cell volume: 580.12
Cell parameters: 8.0947; 10.0336; 7.6711; 90; 111.392; 90;  

COD ID: 1546303
CIF file Formula: - F96 Ga384 O1584 P384 -
Comments: Estermann, M.; McCusker, L. B.; Baerlocher, C.; Merrouche, A.; Kessler, H. A synthetic gallophosphate molecular sieve with a 20-tetrahedral-atom pore opening Nature 352 (1991) 320-323
Space group: F m -3 c
Cell volume: 146463
Cell parameters: 52.712; 52.712; 52.712; 90; 90; 90;  

COD ID: 1547152
CIF file Formula: - C17 H24 O2 -
Comments: John A. Enquist Jr; Brian M. Stoltz The total synthesis of (-)-cyanthiwigin F by means of double catalytic enantioselective alkylation Nature 453 (2008) 1228-1231
Space group: P 21 21 21
Cell volume: 1452.12
Cell parameters: 7.4937; 9.0345; 21.4487; 90; 90; 90;  

COD ID: 1548527
CIF file Formula: - C19 H22 F3 N3 O7 -
Comments: Brendan T. Parr; Christos Economou; Seth B. Herzon A concise synthesis of (+)-batzelladine B from simple pyrrole-based starting materials Nature 525 (2015) 507-510
Space group: P 1 21 1
Cell volume: 1034.87
Cell parameters: 9.4094; 11.7301; 9.5007; 90; 99.289; 90;  

COD ID: 1551264
CIF file Formula: - C12.73 H19.38 N5.91 O4.91 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 933.73
Cell parameters: 9.6261; 9.0444; 11.6284; 90; 112.735; 90;  

COD ID: 1551265
CIF file Formula: - C12 H19 N5 O5 S Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 872.31
Cell parameters: 9.5645; 9.0405; 10.4571; 90; 105.264; 90;  

COD ID: 1551266
CIF file Formula: - C13.73 H21.7 N6.24 O5.24 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 926.32
Cell parameters: 9.5895; 9.0619; 11.112; 90; 106.403; 90;  

COD ID: 1551267
CIF file Formula: - C20 H26 N10 O8 Zn2 -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 1738.1
Cell parameters: 9.6138; 9.102; 20.131; 90; 99.356; 90;  

COD ID: 1551268
CIF file Formula: - C11 H16 N5 O5 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 1764.75
Cell parameters: 9.5741; 9.055; 20.4299; 90; 94.87; 90;  

COD ID: 1551269
CIF file Formula: - C10 H13 N5 O4 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 1766.5
Cell parameters: 9.6206; 9.0406; 20.395; 90; 95.22; 90;  

COD ID: 1551270
CIF file Formula: - C13 H26 N6 O8 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 960.47
Cell parameters: 9.6861; 8.9799; 11.4935; 90; 106.106; 90;  

COD ID: 1551271
CIF file Formula: - C15 H17 N5 O6 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 931.05
Cell parameters: 9.5727; 9.023; 11.7432; 90; 113.377; 90;  

COD ID: 1551272
CIF file Formula: - C15 H19 N5 O6 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 923
Cell parameters: 9.5538; 8.7322; 11.8097; 90; 110.473; 90;  

COD ID: 1551273
CIF file Formula: - C14 H21 N5 O5 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 899.87
Cell parameters: 9.5309; 9.0153; 11.0339; 90; 108.349; 90;  

COD ID: 1551274
CIF file Formula: - C10 H14 N5 O4.5 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 1258.46
Cell parameters: 7.2589; 9.1136; 19.0252; 90; 90.887; 90;  

COD ID: 1551275
CIF file Formula: - C12 H19 N5 O5 S Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 873
Cell parameters: 9.5615; 9.0515; 10.4586; 90; 105.318; 90;  

COD ID: 1551276
CIF file Formula: - C10 H13 N5 O4 Zn -
Comments: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky Chemical control of structure and guest uptake by a conformationally mobile porous material Nature 565 (2019) 213-217
Space group: P 1 21 1
Cell volume: 936.4
Cell parameters: 9.602; 9.035; 11.675; 90; 112.41; 90;  

COD ID: 1566646
CIF file Formula: - D2 O -
Comments: Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure of a new phase of ice Nature 391 (1998) 268
Space group: I -4 2 d
Cell volume: 277.481
Cell parameters: 8.304; 8.304; 4.024; 90; 90; 90;  

COD ID: 1566651
CIF file Formula: - D2 O -
Comments: Falenty, A.; Hansen, T. C.; Kuhs, W. F. Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate Nature 516 (2014) 231
Space group: F d -3 m :2
Cell volume: 5021.29
Cell parameters: 17.124; 17.124; 17.124; 90; 90; 90;  

COD ID: 1568136
CIF file Formula: - Cu4 Na4.39 O Se4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 508.43
Cell parameters: 11.232; 11.232; 4.0301; 90; 90; 90;  

COD ID: 1568137
CIF file Formula: - Cu11.19 Na10.21 O2 Se10 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: C 1 2/m 1
Cell volume: 1252.3
Cell parameters: 15.772; 4.0654; 20.828; 90; 110.33; 90;  

COD ID: 1568138
CIF file Formula: - Cu7.7 Na5.3 O Se6 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: C 1 2/m 1
Cell volume: 743.5
Cell parameters: 15.714; 4.0699; 11.643; 90; 93.15; 90;  

COD ID: 1568139
CIF file Formula: - Cu4 Na4.55 O S4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 462.38
Cell parameters: 10.9081; 10.9081; 3.886; 90; 90; 90;  

COD ID: 1568140
CIF file Formula: - Cu3 Na S2 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: R -3 m :H
Cell volume: 295.2
Cell parameters: 3.936; 3.936; 22.003; 90; 90; 120;  

COD ID: 1568141
CIF file Formula: - Cu11.4 Na9.74 O2 S10 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: P 1 2/c 1
Cell volume: 2270
Cell parameters: 20.388; 7.7841; 15.311; 90; 110.9; 90;  

COD ID: 1568142
CIF file Formula: - Cu7.43 Na5.34 O S6 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: C 1 2/m 1
Cell volume: 678.6
Cell parameters: 15.278; 3.9247; 11.324; 90; 91.89; 90;  

COD ID: 1568143
CIF file Formula: - Cu3.52 K4.33 O0.88 Se4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 674.5
Cell parameters: 12.335; 12.335; 4.433; 90; 90; 90;  

COD ID: 1568144
CIF file Formula: - Cu2.78 Na0.84 Se2 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: C 1 2/m 1
Cell volume: 216.78
Cell parameters: 7.0555; 4.0808; 7.9345; 90; 108.39; 90;  

COD ID: 1568145
CIF file Formula: - Cu0.59 Li0.42 Na S -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: P 4/n m m :2
Cell volume: 103.44
Cell parameters: 3.9745; 3.9745; 6.548; 90; 90; 90;  

COD ID: 1568146
CIF file Formula: - Cu0.65 Li0.35 Na Se -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: P 4/n m m :2
Cell volume: 116.28
Cell parameters: 4.1307; 4.1307; 6.815; 90; 90; 90;  

COD ID: 1568147
CIF file Formula: - Ba Cu1.42 Li0.58 S2 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4 m m
Cell volume: 194.71
Cell parameters: 3.9191; 3.9191; 12.677; 90; 90; 90;  

COD ID: 1568148
CIF file Formula: - Ba9 Cu13.46 Na4 O8 S12 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 1638
Cell parameters: 20.247; 20.247; 3.9958; 90; 90; 90;  

COD ID: 1568149
CIF file Formula: - Ba0.44 Cu2.02 Rb0.56 Se2 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m m m
Cell volume: 218.46
Cell parameters: 4.0442; 4.0442; 13.357; 90; 90; 90;  

COD ID: 1568150
CIF file Formula: - Ba1.89 Cu13.92 Na6 S12 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: C 1 2/m 1
Cell volume: 1296.5
Cell parameters: 7.1315; 12.365; 14.892; 90; 99.15; 90;  

COD ID: 1568151
CIF file Formula: - Ba Cu7 K3 S6 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: C 1 2/m 1
Cell volume: 725.48
Cell parameters: 7.2499; 12.4798; 8.3691; 90; 106.647; 90;  

COD ID: 1568152
CIF file Formula: - Ba2 Cu2 Na1.24 O1.25 S3 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: C 1 2/m 1
Cell volume: 1616.6
Cell parameters: 22.188; 4.2597; 17.111; 90; 91.544; 90;  

COD ID: 1568153
CIF file Formula: - Ba1.89 Cu5.56 O Se4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: P n m a
Cell volume: 1004.1
Cell parameters: 19.354; 4.2315; 12.261; 90; 90; 90;  

COD ID: 1568154
CIF file Formula: - Ba2 Cu2.8 O2 Se2 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m m m
Cell volume: 337.31
Cell parameters: 4.1491; 4.1491; 19.594; 90; 90; 90;  

COD ID: 1568155
CIF file Formula: - Ba2 Cu2 Na0.55 O2 Se2 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m m m
Cell volume: 340.03
Cell parameters: 4.2049; 4.2049; 19.231; 90; 90; 90;  

COD ID: 1568156
CIF file Formula: - Ba1.59 Cu1.92 K0.41 O1.86 Se2 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4 m m
Cell volume: 342.03
Cell parameters: 4.2047; 4.2047; 19.346; 90; 90; 90;  

COD ID: 1568157
CIF file Formula: - Ba2 Cu1.79 O3 S -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: P 4/n m m :2
Cell volume: 265.82
Cell parameters: 4.0099; 4.0099; 16.532; 90; 90; 90;  

COD ID: 1568158
CIF file Formula: - Ba0.63 Cu1.83 K0.87 S0.9 Se1.1 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: P b a m
Cell volume: 494.2
Cell parameters: 7.483; 16.0919; 4.1041; 90; 90; 90;  

COD ID: 1568159
CIF file Formula: - Cu10 K2 Se6 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: P 42/m n m
Cell volume: 669.48
Cell parameters: 12.9183; 12.9183; 4.0117; 90; 90; 90;  

COD ID: 1568160
CIF file Formula: - Cu6.09 Rb Se4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 443.24
Cell parameters: 10.561; 10.561; 3.974; 90; 90; 90;  

COD ID: 1568161
CIF file Formula: - Ba4 Cu12 Rb6 Se13 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I m -3
Cell volume: 1804.04
Cell parameters: 12.1735; 12.1735; 12.1735; 90; 90; 90;  

COD ID: 1568162
CIF file Formula: - Cu7.66 Na6 Se8 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: P b a m
Cell volume: 442.2
Cell parameters: 7.417; 15.192; 3.9244; 90; 90; 90;  

COD ID: 1568163
CIF file Formula: - Ba Cu7 K3 S6 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: C 1 2/m 1
Cell volume: 726.01
Cell parameters: 7.2523; 12.4863; 8.3687; 90; 106.661; 90;  

COD ID: 1570725
CIF file Formula: - C14 H18 Cl2 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P 1 21/c 1
Cell volume: 1158
Cell parameters: 17.264; 8.1402; 8.3591; 90; 99.694; 90;  

COD ID: 1570726
CIF file Formula: - C14 H18 F2 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P 1 21/c 1
Cell volume: 1110.5
Cell parameters: 16.58; 8.1987; 8.2557; 90; 98.308; 90;  

COD ID: 1570727
CIF file Formula: - C14 H18 Br2 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P c c n
Cell volume: 2341.6
Cell parameters: 34.5436; 8.1885; 8.2783; 90; 90; 90;  

COD ID: 1570728
CIF file Formula: - C16 H16 F6 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P n a 21
Cell volume: 2537.9
Cell parameters: 35.387; 8.3595; 8.5792; 90; 90; 90;  

COD ID: 1570729
CIF file Formula: - C16 H22 Cl2 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P n a 21
Cell volume: 2471.9
Cell parameters: 11.9349; 6.0242; 34.381; 90; 90; 90;  

COD ID: 1570730
CIF file Formula: - C14 H18 Cl2 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P c c n
Cell volume: 2303.58
Cell parameters: 34.1352; 8.1304; 8.3002; 90; 90; 90;  

COD ID: 1570731
CIF file Formula: - C16 H22 F2 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P -1
Cell volume: 2354.6
Cell parameters: 11.971; 11.987; 16.761; 79.689; 84.394; 89.99;  

COD ID: 1570732
CIF file Formula: - C14 H18 F2 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P 1 21/c 1
Cell volume: 1111.04
Cell parameters: 16.4276; 8.2654; 8.2637; 90; 98.035; 90;  

COD ID: 1570733
CIF file Formula: - C14 H18 Cl4 Cu F2 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P n m a
Cell volume: 1706.83
Cell parameters: 10.5352; 31.0969; 5.2099; 90; 90; 90;  

COD ID: 1570734
CIF file Formula: - C14 H18 Ge I6 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: C c c 2
Cell volume: 2418.5
Cell parameters: 8.4111; 34.575; 8.3164; 90; 90; 90;  

COD ID: 1570735
CIF file Formula: - C6 H10 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P c a 21
Cell volume: 1489.65
Cell parameters: 17.9943; 10.2787; 8.054; 90; 90; 90;  

COD ID: 1570736
CIF file Formula: - C8 H24 Ge I4 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P 21 21 21
Cell volume: 1970.09
Cell parameters: 8.2561; 8.6468; 27.5966; 90; 90; 90;  

COD ID: 1570737
CIF file Formula: - C14 H18 Cl2 Cs Ge2 I7 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: A e m 2
Cell volume: 3151.9
Cell parameters: 8.4068; 45.0015; 8.3314; 90; 90; 90;  

COD ID: 1570738
CIF file Formula: - C3 H18 Ge3 I9 N3 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: R 3 m :H
Cell volume: 683.09
Cell parameters: 8.4602; 8.4602; 11.0201; 90; 90; 120;  

COD ID: 1570739
CIF file Formula: - C28 H40 Ge3 I10 N4 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P 1 21 1
Cell volume: 2350.95
Cell parameters: 8.2572; 21.5648; 13.2995; 90; 96.915; 90;  

COD ID: 1570740
CIF file Formula: - C4 H14 Ge I6 N2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P 1 21/n 1
Cell volume: 1800.2
Cell parameters: 8.1291; 8.8236; 25.322; 90; 97.632; 90;  

COD ID: 1570741
CIF file Formula: - C8 H20 Ge I4 N2 O2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P 1 21/m 1
Cell volume: 924.61
Cell parameters: 6.2764; 23.0661; 6.4271; 90; 96.433; 90;  

COD ID: 1570742
CIF file Formula: - C4 H16 Ge I4 N2 O2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P n m a
Cell volume: 1543.37
Cell parameters: 13.0687; 19.3506; 6.103; 90; 90; 90;  

COD ID: 1570743
CIF file Formula: - C16 H24 Ge I4 N2 O2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P -1
Cell volume: 2350.96
Cell parameters: 11.868; 11.9612; 17.2893; 80.036; 76.75; 89.983;  

COD ID: 1570744
CIF file Formula: - C12 H52 Ge3 I14 N8 O2 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: P -1
Cell volume: 1247.9
Cell parameters: 8.389; 11.1217; 14.7309; 90.206; 104.865; 109.288;  

COD ID: 5900005
CIF file Formula: - C2 H6 N2 O2 -
Comments: Nature 160 (1947) 826
Space group: P 1 21/m 1
Cell volume: 219.68
Cell parameters: 6.13; 6.48; 6.08; 90; 114.55; 90;  

COD ID: 9009219
CIF file Formula: - Fe5 Si3 -
Comments: Weill, A. R. Structure of the eta phase of the iron-silicon system Nature 152 (1943) 413-413
Space group: P 63/m c m
Cell volume: 185.304
Cell parameters: 6.7416; 6.7416; 4.7079; 90; 90; 120;  

COD ID: 9009220
CIF file Formula: - Ca2 O14 Ti4 Zr2 -
Comments: Rossell, H. J. Zirconolite - a fluorite-related superstructure Note polytype Zirconolite-2M Nature 283 (1980) 282-283
Space group: C 1 2/c 1
Cell volume: 1014.06
Cell parameters: 12.4458; 7.2734; 11.3942; 90; 100.533; 90;  

COD ID: 9009221
CIF file Formula: - Al4 Fe21 H60 O110 P17 -
Comments: Moore P B; Shen J An X-ray structural study of cacoxenite, a mineral phosphate Nature 306 (1983) 356-358
Space group: P 63/m
Cell volume: 6939.21
Cell parameters: 27.559; 27.559; 10.55; 90; 90; 120;  

COD ID: 9011574
CIF file Formula: - Cr -
Comments: Bradley, A. J.; Ollard, E. F. Allotropy of chromium Nature 117 (1926) 122-122
Space group: P 63/m m c
Cell volume: 28.131
Cell parameters: 2.714; 2.714; 4.41; 90; 90; 120;  

COD ID: 9011575
CIF file Formula: - C -
Comments: Riley, D. P. Lattice constant of diamond and the C-C single bond Sample: at T = 18 C Nature 153 (1944) 587-588
Space group: F d -3 m :1
Cell volume: 45.377
Cell parameters: 3.56679; 3.56679; 3.56679; 90; 90; 90;  

COD ID: 9011576
CIF file Formula: - Al Ca3 H34 O24.5 S1.5 -
Comments: Moore, A.; Taylor, H. F. W. Crystal structure of ettringite Nature 218 (1968) 1048-1049
Space group: P 63/m c m
Cell volume: 1170.81
Cell parameters: 11.23; 11.23; 10.72; 90; 90; 120;  

COD ID: 9011577
CIF file Formula: - C -
Comments: Trucano, P.; Chen, R. Structure of graphite by neutron diffraction Note: natural crystals Nature 258 (1975) 136-137
Space group: P 63/m m c
Cell volume: 35.286
Cell parameters: 2.464; 2.464; 6.711; 90; 90; 120;  

COD ID: 9011579
CIF file Formula: - Mg Na2 O12 Si5 -
Comments: Angel, R. J.; Gasparik, T.; Ross, N. L.; Finger, L. W.; Prewitt, C. T.; Hazen, R. M. A silica-rich sodium pyroxene phase with six-coordinated silicon Nature 335 (1988) 156-158
Space group: P 1 2/n 1
Cell volume: 408.178
Cell parameters: 9.418; 8.647; 5.274; 90; 108.13; 90;  

COD ID: 9011580
CIF file Formula: - C60 -
Comments: David, W. I. F.; Ibberson, R. M.; Matthewman, J. C.; Prassides, K.; Dennis, T. J. S.; Hare, J. P.; Kroto, H. W.; Taylor, R.; Walton, D. R. M. Crystal structure and bonding of ordered C60 Sample: at T = 5 K Note: phase: carbon C60 Nature 353 (1991) 147-149
Space group: P a -3
Cell volume: 2768.05
Cell parameters: 14.04078; 14.04078; 14.04078; 90; 90; 90;  

COD ID: 9011581
CIF file Formula: - Mg O3 Si -
Comments: Angel, R. J.; Chopelas, A.; Ross, N. L. Stability of high-density clinoenstatite at upper-mantle pressures Sample: P = 7.93 GPa Nature 358 (1992) 322-324
Space group: C 1 2/c 1
Cell volume: 381.496
Cell parameters: 9.201; 8.621; 4.908; 90; 101.5; 90;  

COD ID: 9014578
CIF file Formula: - Cl H -
Comments: Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature 213 (1967) 171-172
Space group: F m -3 m
Cell volume: 164.747
Cell parameters: 5.482; 5.482; 5.482; 90; 90; 90;  

COD ID: 9015375
CIF file Formula: - Cl H -
Comments: Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature 213 (1967) 171-172
Space group: F m -3 m
Cell volume: 164.117
Cell parameters: 5.475; 5.475; 5.475; 90; 90; 90;  

COD ID: 9016278
CIF file Formula: - Al0.32 O2 Si0.68 -
Comments: Dent, L. S.; Smith, J. V. Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located Nature 181 (1958) 1794-1796
Space group: R -3 m :R
Cell volume: 823.197
Cell parameters: 9.4; 9.4; 9.4; 94.3; 94.3; 94.3;  

COD ID: 9016437
CIF file Formula: - Cl H -
Comments: Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K Nature 213 (1967) 171-172
Space group: B b 21 m
Cell volume: 158.147
Cell parameters: 5.053; 5.373; 5.825; 90; 90; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.