Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1541821 | CIF | N2 O4 | I m -3 | 7.77; 7.77; 7.77 90; 90; 90 | 469.097 | Broadley, J.S.; Robertson, J.M. Structure of dinitrogen tetroxide Nature (London), 1949, 164, 915-915 |
| 1541958 | CIF | Fe5 Li O8 | P 43 3 2 | 8.33; 8.33; 8.33 90; 90; 90 | 578.01 | Braun, P.B. A superstructure in spinels Nature (London), 1952, 170, 1123-1123 |
| 1541974 | CIF | I4 S16 Sn | F d d 2 | 20.83; 21.76; 11.41 90; 90; 90 | 5171.71 | Hawes, L.L. A semi-bonded compound in series Sn I4 S8 Nature (London), 1962, 196, 766-767 |
| 1541990 | CIF | Ca0.96 Mn0.32 O2.56 Si0.64 | P m -3 m | 3.76; 3.76; 3.76 90; 90; 90 | 53.157 | Goldschmidt, H.J.; Rait, J.R. Silicates of the Perovskite Type of Structure Nature (London), 1943, 152, 356-356 |
| 1542127 | CIF | H4 N O3 P | C m c e | 10.4; 10.8; 12.75 90; 90; 90 | 1432.08 | Ketelaar, J.A.A.; MacGillavry, C.H. Crystal structure of ammonium tetrametaphosphate Nature (London), 1949, 164, 960-961 |
| 1542141 | CIF | Cl3 Cs Pb | P m -3 m | 5.599; 5.599; 5.599 90; 90; 90 | 175.522 | Moller, C.K. A Phase Transition in Cesium Plumbochloride Nature (London), 1957, 180, 981-982 |
| 1542142 | CIF | Cl3 Cs Pb | P m -3 m | 5.605; 5.605; 5.605 90; 90; 90 | 176.087 | Moller, C.K. The structure of perovskite-like cesium plumbo trihalides Nature (London), 1958, 182, 1436-1436 |
| 1544344 | CIF | Cr O4 P | I m m a | 10.40583; 12.89952; 6.29933 90; 90; 90 | 845.56 | Attfield, J.P.; Sleight, A.W.; Cheetham, A.K. Structure determination of alpha-CrPO4 from powder synchrotron X-ray data Nature, 1986, 322, 620-622 |
| 1544550 | CIF | As Fe O4 | P 1 21/n 1 | 7.5636; 8.0795; 5.0117 90; 104.47; 90 | 296.55 | 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, 1986, 320, 46-48 |
| 1545646 | CIF | Ga2 H11 O13 P3 | P 1 21 1 | 8.0947; 10.0336; 7.6711 90; 111.392; 90 | 580.12 | 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, 1992, 359, 519-522 |
| 1546303 | CIF | F96 Ga384 O1584 P384 | F m -3 c | 52.712; 52.712; 52.712 90; 90; 90 | 146463 | Estermann, M.; McCusker, L. B.; Baerlocher, C.; Merrouche, A.; Kessler, H. A synthetic gallophosphate molecular sieve with a 20-tetrahedral-atom pore opening Nature, 1991, 352, 320-323 |
| 1547152 | CIF | C17 H24 O2 | P 21 21 21 | 7.4937; 9.0345; 21.4487 90; 90; 90 | 1452.12 | John A. Enquist Jr; Brian M. Stoltz The total synthesis of (-)-cyanthiwigin F by means of double catalytic enantioselective alkylation Nature, 2008, 453, 1228-1231 |
| 1548527 | CIF | C19 H22 F3 N3 O7 | P 1 21 1 | 9.4094; 11.7301; 9.5007 90; 99.289; 90 | 1034.87 | Brendan T. Parr; Christos Economou; Seth B. Herzon A concise synthesis of (+)-batzelladine B from simple pyrrole-based starting materials Nature, 2015, 525, 507-510 |
| 1551264 | CIF | C12.73 H19.38 N5.91 O4.91 Zn | P 1 21 1 | 9.6261; 9.0444; 11.6284 90; 112.735; 90 | 933.73 | 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, 2019, 565, 213-217 |
| 1551265 | CIF | C12 H19 N5 O5 S Zn | P 1 21 1 | 9.5645; 9.0405; 10.4571 90; 105.264; 90 | 872.31 | 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, 2019, 565, 213-217 |
| 1551266 | CIF | C13.73 H21.7 N6.24 O5.24 Zn | P 1 21 1 | 9.5895; 9.0619; 11.112 90; 106.403; 90 | 926.32 | 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, 2019, 565, 213-217 |
| 1551267 | CIF | C20 H26 N10 O8 Zn2 | P 1 21 1 | 9.6138; 9.102; 20.131 90; 99.356; 90 | 1738.1 | 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, 2019, 565, 213-217 |
| 1551268 | CIF | C11 H16 N5 O5 Zn | P 1 21 1 | 9.5741; 9.055; 20.4299 90; 94.87; 90 | 1764.75 | 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, 2019, 565, 213-217 |
| 1551269 | CIF | C10 H13 N5 O4 Zn | P 1 21 1 | 9.6206; 9.0406; 20.395 90; 95.22; 90 | 1766.5 | 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, 2019, 565, 213-217 |
| 1551270 | CIF | C13 H26 N6 O8 Zn | P 1 21 1 | 9.6861; 8.9799; 11.4935 90; 106.106; 90 | 960.47 | 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, 2019, 565, 213-217 |
| 1551271 | CIF | C15 H17 N5 O6 Zn | P 1 21 1 | 9.5727; 9.023; 11.7432 90; 113.377; 90 | 931.05 | 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, 2019, 565, 213-217 |
| 1551272 | CIF | C15 H19 N5 O6 Zn | P 1 21 1 | 9.5538; 8.7322; 11.8097 90; 110.473; 90 | 923 | 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, 2019, 565, 213-217 |
| 1551273 | CIF | C14 H21 N5 O5 Zn | P 1 21 1 | 9.5309; 9.0153; 11.0339 90; 108.349; 90 | 899.87 | 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, 2019, 565, 213-217 |
| 1551274 | CIF | C10 H14 N5 O4.5 Zn | P 1 21 1 | 7.2589; 9.1136; 19.0252 90; 90.887; 90 | 1258.46 | 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, 2019, 565, 213-217 |
| 1551275 | CIF | C12 H19 N5 O5 S Zn | P 1 21 1 | 9.5615; 9.0515; 10.4586 90; 105.318; 90 | 873 | 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, 2019, 565, 213-217 |
| 1551276 | CIF | C10 H13 N5 O4 Zn | P 1 21 1 | 9.602; 9.035; 11.675 90; 112.41; 90 | 936.4 | 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, 2019, 565, 213-217 |
| 1566646 | CIF | D2 O | I -4 2 d | 8.304; 8.304; 4.024 90; 90; 90 | 277.481 | Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure of a new phase of ice Nature, 1998, 391, 268 |
| 1566651 | CIF | D2 O | F d -3 m :2 | 17.124; 17.124; 17.124 90; 90; 90 | 5021.29 | Falenty, A.; Hansen, T. C.; Kuhs, W. F. Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate Nature, 2014, 516, 231 |
| 1568136 | CIF | Cu4 Na4.39 O Se4 | I 4/m | 11.232; 11.232; 4.0301 90; 90; 90 | 508.43 | 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, 2022, 612, 72-77 |
| 1568137 | CIF | Cu11.19 Na10.21 O2 Se10 | C 1 2/m 1 | 15.772; 4.0654; 20.828 90; 110.33; 90 | 1252.3 | 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, 2022, 612, 72-77 |
| 1568138 | CIF | Cu7.7 Na5.3 O Se6 | C 1 2/m 1 | 15.714; 4.0699; 11.643 90; 93.15; 90 | 743.5 | 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, 2022, 612, 72-77 |
| 1568139 | CIF | Cu4 Na4.55 O S4 | I 4/m | 10.9081; 10.9081; 3.886 90; 90; 90 | 462.38 | 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, 2022, 612, 72-77 |
| 1568140 | CIF | Cu3 Na S2 | R -3 m :H | 3.936; 3.936; 22.003 90; 90; 120 | 295.2 | 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, 2022, 612, 72-77 |
| 1568141 | CIF | Cu11.4 Na9.74 O2 S10 | P 1 2/c 1 | 20.388; 7.7841; 15.311 90; 110.9; 90 | 2270 | 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, 2022, 612, 72-77 |
| 1568142 | CIF | Cu7.43 Na5.34 O S6 | C 1 2/m 1 | 15.278; 3.9247; 11.324 90; 91.89; 90 | 678.6 | 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, 2022, 612, 72-77 |
| 1568143 | CIF | Cu3.52 K4.33 O0.88 Se4 | I 4/m | 12.335; 12.335; 4.433 90; 90; 90 | 674.5 | 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, 2022, 612, 72-77 |
| 1568144 | CIF | Cu2.78 Na0.84 Se2 | C 1 2/m 1 | 7.0555; 4.0808; 7.9345 90; 108.39; 90 | 216.78 | 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, 2022, 612, 72-77 |
| 1568145 | CIF | Cu0.59 Li0.42 Na S | P 4/n m m :2 | 3.9745; 3.9745; 6.548 90; 90; 90 | 103.44 | 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, 2022, 612, 72-77 |
| 1568146 | CIF | Cu0.65 Li0.35 Na Se | P 4/n m m :2 | 4.1307; 4.1307; 6.815 90; 90; 90 | 116.28 | 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, 2022, 612, 72-77 |
| 1568147 | CIF | Ba Cu1.42 Li0.58 S2 | I 4 m m | 3.9191; 3.9191; 12.677 90; 90; 90 | 194.71 | 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, 2022, 612, 72-77 |
| 1568148 | CIF | Ba9 Cu13.46 Na4 O8 S12 | I 4/m | 20.247; 20.247; 3.9958 90; 90; 90 | 1638 | 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, 2022, 612, 72-77 |
| 1568149 | CIF | Ba0.44 Cu2.02 Rb0.56 Se2 | I 4/m m m | 4.0442; 4.0442; 13.357 90; 90; 90 | 218.46 | 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, 2022, 612, 72-77 |
| 1568150 | CIF | Ba1.89 Cu13.92 Na6 S12 | C 1 2/m 1 | 7.1315; 12.365; 14.892 90; 99.15; 90 | 1296.5 | 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, 2022, 612, 72-77 |
| 1568151 | CIF | Ba Cu7 K3 S6 | C 1 2/m 1 | 7.2499; 12.4798; 8.3691 90; 106.647; 90 | 725.48 | 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, 2022, 612, 72-77 |
| 1568152 | CIF | Ba2 Cu2 Na1.24 O1.25 S3 | C 1 2/m 1 | 22.188; 4.2597; 17.111 90; 91.544; 90 | 1616.6 | 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, 2022, 612, 72-77 |
| 1568153 | CIF | Ba1.89 Cu5.56 O Se4 | P n m a | 19.354; 4.2315; 12.261 90; 90; 90 | 1004.1 | 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, 2022, 612, 72-77 |
| 1568154 | CIF | Ba2 Cu2.8 O2 Se2 | I 4/m m m | 4.1491; 4.1491; 19.594 90; 90; 90 | 337.31 | 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, 2022, 612, 72-77 |
| 1568155 | CIF | Ba2 Cu2 Na0.55 O2 Se2 | I 4/m m m | 4.2049; 4.2049; 19.231 90; 90; 90 | 340.03 | 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, 2022, 612, 72-77 |
| 1568156 | CIF | Ba1.59 Cu1.92 K0.41 O1.86 Se2 | I 4 m m | 4.2047; 4.2047; 19.346 90; 90; 90 | 342.03 | 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, 2022, 612, 72-77 |
| 1568157 | CIF | Ba2 Cu1.79 O3 S | P 4/n m m :2 | 4.0099; 4.0099; 16.532 90; 90; 90 | 265.82 | 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, 2022, 612, 72-77 |
| 1568158 | CIF | Ba0.63 Cu1.83 K0.87 S0.9 Se1.1 | P b a m | 7.483; 16.0919; 4.1041 90; 90; 90 | 494.2 | 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, 2022, 612, 72-77 |
| 1568159 | CIF | Cu10 K2 Se6 | P 42/m n m | 12.9183; 12.9183; 4.0117 90; 90; 90 | 669.48 | 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, 2022, 612, 72-77 |
| 1568160 | CIF | Cu6.09 Rb Se4 | I 4/m | 10.561; 10.561; 3.974 90; 90; 90 | 443.24 | 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, 2022, 612, 72-77 |
| 1568161 | CIF | Ba4 Cu12 Rb6 Se13 | I m -3 | 12.1735; 12.1735; 12.1735 90; 90; 90 | 1804.04 | 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, 2022, 612, 72-77 |
| 1568162 | CIF | Cu7.66 Na6 Se8 | P b a m | 7.417; 15.192; 3.9244 90; 90; 90 | 442.2 | 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, 2022, 612, 72-77 |
| 1568163 | CIF | Ba Cu7 K3 S6 | C 1 2/m 1 | 7.2523; 12.4863; 8.3687 90; 106.661; 90 | 726.01 | 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, 2022, 612, 72-77 |
| 1570725 | CIF | C14 H18 Cl2 Ge I4 N2 | P 1 21/c 1 | 17.264; 8.1402; 8.3591 90; 99.694; 90 | 1158 | 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, 2023, 620, 328-335 |
| 1570726 | CIF | C14 H18 F2 Ge I4 N2 | P 1 21/c 1 | 16.58; 8.1987; 8.2557 90; 98.308; 90 | 1110.5 | 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, 2023, 620, 328-335 |
| 1570727 | CIF | C14 H18 Br2 Ge I4 N2 | P c c n | 34.5436; 8.1885; 8.2783 90; 90; 90 | 2341.6 | 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, 2023, 620, 328-335 |
| 1570728 | CIF | C16 H16 F6 Ge I4 N2 | P n a 21 | 35.387; 8.3595; 8.5792 90; 90; 90 | 2537.9 | 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, 2023, 620, 328-335 |
| 1570729 | CIF | C16 H22 Cl2 Ge I4 N2 | P n a 21 | 11.9349; 6.0242; 34.381 90; 90; 90 | 2471.9 | 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, 2023, 620, 328-335 |
| 1570730 | CIF | C14 H18 Cl2 Ge I4 N2 | P c c n | 34.1352; 8.1304; 8.3002 90; 90; 90 | 2303.58 | 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, 2023, 620, 328-335 |
| 1570731 | CIF | C16 H22 F2 Ge I4 N2 | P -1 | 11.971; 11.987; 16.761 79.689; 84.394; 89.99 | 2354.6 | 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, 2023, 620, 328-335 |
| 1570732 | CIF | C14 H18 F2 Ge I4 N2 | P 1 21/c 1 | 16.4276; 8.2654; 8.2637 90; 98.035; 90 | 1111.04 | 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, 2023, 620, 328-335 |
| 1570733 | CIF | C14 H18 Cl4 Cu F2 N2 | P n m a | 10.5352; 31.0969; 5.2099 90; 90; 90 | 1706.83 | 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, 2023, 620, 328-335 |
| 1570734 | CIF | C14 H18 Ge I6 N2 | C c c 2 | 8.4111; 34.575; 8.3164 90; 90; 90 | 2418.5 | 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, 2023, 620, 328-335 |
| 1570735 | CIF | C6 H10 Ge I4 N2 | P c a 21 | 17.9943; 10.2787; 8.054 90; 90; 90 | 1489.65 | 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, 2023, 620, 328-335 |
| 1570736 | CIF | C8 H24 Ge I4 N2 | P 21 21 21 | 8.2561; 8.6468; 27.5966 90; 90; 90 | 1970.09 | 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, 2023, 620, 328-335 |
| 1570737 | CIF | C14 H18 Cl2 Cs Ge2 I7 N2 | A e m 2 | 8.4068; 45.0015; 8.3314 90; 90; 90 | 3151.9 | 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, 2023, 620, 328-335 |
| 1570738 | CIF | C3 H18 Ge3 I9 N3 | R 3 m :H | 8.4602; 8.4602; 11.0201 90; 90; 120 | 683.09 | 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, 2023, 620, 328-335 |
| 1570739 | CIF | C28 H40 Ge3 I10 N4 | P 1 21 1 | 8.2572; 21.5648; 13.2995 90; 96.915; 90 | 2350.95 | 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, 2023, 620, 328-335 |
| 1570740 | CIF | C4 H14 Ge I6 N2 | P 1 21/n 1 | 8.1291; 8.8236; 25.322 90; 97.632; 90 | 1800.2 | 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, 2023, 620, 328-335 |
| 1570741 | CIF | C8 H20 Ge I4 N2 O2 | P 1 21/m 1 | 6.2764; 23.0661; 6.4271 90; 96.433; 90 | 924.61 | 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, 2023, 620, 328-335 |
| 1570742 | CIF | C4 H16 Ge I4 N2 O2 | P n m a | 13.0687; 19.3506; 6.103 90; 90; 90 | 1543.37 | 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, 2023, 620, 328-335 |
| 1570743 | CIF | C16 H24 Ge I4 N2 O2 | P -1 | 11.868; 11.9612; 17.2893 80.036; 76.75; 89.983 | 2350.96 | 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, 2023, 620, 328-335 |
| 1570744 | CIF | C12 H52 Ge3 I14 N8 O2 | P -1 | 8.389; 11.1217; 14.7309 90.206; 104.865; 109.288 | 1247.9 | 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, 2023, 620, 328-335 |
| 5900005 | CIF | C2 H6 N2 O2 | P 1 21/m 1 | 6.13; 6.48; 6.08 90; 114.55; 90 | 219.68 | Nature, 1947, 160, 826 |
| 9009219 | CIF | Fe5 Si3 | P 63/m c m | 6.7416; 6.7416; 4.7079 90; 90; 120 | 185.304 | Weill, A. R. Structure of the eta phase of the iron-silicon system Nature, 1943, 152, 413-413 |
| 9009220 | CIF | Ca2 O14 Ti4 Zr2 | C 1 2/c 1 | 12.4458; 7.2734; 11.3942 90; 100.533; 90 | 1014.06 | Rossell, H. J. Zirconolite - a fluorite-related superstructure Note polytype Zirconolite-2M Nature, 1980, 283, 282-283 |
| 9009221 | CIF | Al4 Fe21 H60 O110 P17 | P 63/m | 27.559; 27.559; 10.55 90; 90; 120 | 6939.21 | Moore P B; Shen J An X-ray structural study of cacoxenite, a mineral phosphate Nature, 1983, 306, 356-358 |
| 9011574 | CIF | Cr | P 63/m m c | 2.714; 2.714; 4.41 90; 90; 120 | 28.131 | Bradley, A. J.; Ollard, E. F. Allotropy of chromium Nature, 1926, 117, 122-122 |
| 9011575 | CIF | C | F d -3 m :1 | 3.56679; 3.56679; 3.56679 90; 90; 90 | 45.377 | Riley, D. P. Lattice constant of diamond and the C-C single bond Sample: at T = 18 C Nature, 1944, 153, 587-588 |
| 9011576 | CIF | Al Ca3 H34 O24.5 S1.5 | P 63/m c m | 11.23; 11.23; 10.72 90; 90; 120 | 1170.81 | Moore, A.; Taylor, H. F. W. Crystal structure of ettringite Nature, 1968, 218, 1048-1049 |
| 9011577 | CIF | C | P 63/m m c | 2.464; 2.464; 6.711 90; 90; 120 | 35.286 | Trucano, P.; Chen, R. Structure of graphite by neutron diffraction Note: natural crystals Nature, 1975, 258, 136-137 |
| 9011579 | CIF | Mg Na2 O12 Si5 | P 1 2/n 1 | 9.418; 8.647; 5.274 90; 108.13; 90 | 408.178 | 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, 1988, 335, 156-158 |
| 9011580 | CIF | C60 | P a -3 | 14.04078; 14.04078; 14.04078 90; 90; 90 | 2768.05 | 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, 1991, 353, 147-149 |
| 9011581 | CIF | Mg O3 Si | C 1 2/c 1 | 9.201; 8.621; 4.908 90; 101.5; 90 | 381.496 | Angel, R. J.; Chopelas, A.; Ross, N. L. Stability of high-density clinoenstatite at upper-mantle pressures Sample: P = 7.93 GPa Nature, 1992, 358, 322-324 |
| 9014578 | CIF | Cl H | F m -3 m | 5.482; 5.482; 5.482 90; 90; 90 | 164.747 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172 |
| 9015375 | CIF | Cl H | F m -3 m | 5.475; 5.475; 5.475 90; 90; 90 | 164.117 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172 |
| 9016278 | CIF | Al0.32 O2 Si0.68 | R -3 m :R | 9.4; 9.4; 9.4 94.3; 94.3; 94.3 | 823.197 | Dent, L. S.; Smith, J. V. Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located Nature, 1958, 181, 1794-1796 |
| 9016437 | CIF | Cl H | B b 21 m | 5.053; 5.373; 5.825 90; 90; 90 | 158.147 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K Nature, 1967, 213, 171-172 |
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