Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1535438 | CIF | Al10.27 Mg0.73 O17 Zn0.865 | R 3 m :H | 5.623; 5.623; 33.517 90; 90; 120 | 917.766 | Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics, 1983, 9, 301-306 |
| 1535734 | CIF | O Te U | P 4/n m m :1 | 4.012; 4.012; 7.501 90; 90; 90 | 120.737 | Trzebiatowski, W.; Niemiec, J.; Sepichowska, A. Magnetic properties of uranium tellurides. III. The preparation, crystal structure and magnetic behaviour of uraniumoxytelluride Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1961, 9, 373-377 |
| 1535978 | CIF | Ce Ir2 Si2 | I 4/m m m | 4.0882; 4.0882; 10.1696 90; 90; 90 | 169.968 | Niepmann, D.; Poettgen, R. A single crystal study of alpha-(Ce Ir2 Si2), beta-(Ce Ir2 Si2) and Ce Ir1.968(5) Ge2 Intermetallics, 2001, 9, 313-318 |
| 1535982 | CIF | Ce Ge2 Ir1.968 | P 4/n m m :2 | 4.2395; 4.2395; 10.101 90; 90; 90 | 181.549 | Niepmann, D.; Poettgen, R. A single crystal study of alpha-(Ce Ir2 Si2), beta-(Ce Ir2 Si2) and Ce Ir1.968(5) Ge2 Intermetallics, 2001, 9, 313-318 |
| 1536176 | CIF | Ba P4 Te2 | P n m a | 16.486; 6.484; 7.076 90; 90; 90 | 756.391 | Joergens, S.; Johrendt, D.; Mewis, A. Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus Chemistry - A European Journal, 2003, 9, 2405-2410 |
| 1536186 | CIF | Al B4 Bi Ga2 O12 | R 3 2 :H | 9.4424; 9.4424; 7.4105 90; 90; 120 | 572.194 | Wang Shichao; Ye Ning Nonlinear optical crystal Bi Al Ga2 (B O3)4 Solid State Sciences, 2007, 9, 713-717 |
| 1536434 | CIF | Ge3 O11 Pb5 | P 3 | 10.19; 10.19; 10.624 90; 90; 120 | 955.36 | Kay, M.I.; Newnham, R.E.; Wolfe, R.W. The crystal structure of the ferroelectric phase of Pb5 Ge3 O11 Ferroelectrics, 1975, 9, 1-6 |
| 1536437 | CIF | C2 O6 Rb2 | P 1 21/c 1 | 7.91288; 10.51173; 7.55593 90; 102.001; 90 | 614.75 | Dinnebier, R.E.; Vensky, S.; Jansen, M. Crystal and molecular structure of rubidium peroxodicarbonate Rb2 (C2 O6) Chemistry - A European Journal, 2003, 9, 4391-4395 |
| 1536486 | CIF | La Se Te2 | C m c m | 4.309; 25.481; 4.321 90; 90; 90 | 474.436 | Doert, T.; Fokwa, B.P.T.; Simon, P.; Lidin, S.; Soehnel, T. La Se Te2 - Temperature dependent structure investigation and electron holography on a charge-density-wave-hosting compound Chemistry - A European Journal, 2003, 9, 5865-5872 |
| 1536810 | CIF | Na O3 V | C 1 c 1 | 10.494; 9.434; 5.863 90; 108.8; 90 | 549.472 | Ramani, K.; Shaikh, A.M.; Viswamitra, M.A.; Reddy, B.S. Crystal structure of ferroelectric sodium metavanadate, Na V O3 Ferroelectrics, 1975, 9, 49-56 |
| 1536896 | CIF | H2 O140 P4 Ti2 W30 | P -1 | 12.743; 12.759; 19.77 91.843; 93.491; 105.881 | 3081.95 | Kortz, U.; Nasser, N.A.; Hamzeh, S.S. Supramolecular Structures of Ti(IV)-Substituted Wells-Dawson Polyoxotungstates Chemistry - A European Journal, 2003, 9, 2945-2952 |
| 1536899 | CIF | H6 K2 O174 P4 Ti6 W30 | P -1 | 25.085; 25.085; 49.367 90; 90; 90 | 31064.5 | Kortz, U.; Hamzeh, S.S.; Nasser, N.A. Supramolecular Structures of Ti(IV)-Substituted Wells-Dawson Polyoxotungstates Chemistry - A European Journal, 2003, 9, 2945-2952 |
| 1537674 | CIF | Mo5 Si3 | I 4/m c m | 9.62; 9.62; 4.9 90; 90; 90 | 453.468 | Aronsson, B. The crystal structure of Mo5 Si3 and W5 Si3 Acta Chemica Scandinavica (1-27,1973-42,1988), 1955, 9, 1107-1110 |
| 1537677 | CIF | Nb5 Si3 | I 4/m c m | 10.018; 10.018; 5.072 90; 90; 90 | 509.028 | Aronsson, B. The crystal structure of Mo5 Si3 and W5 Si3 Acta Chemica Scandinavica (1-27,1973-42,1988), 1955, 9, 1107-1110 |
| 1537727 | CIF | In Se2 Tl | I 4/m c m | 8.064; 8.064; 6.833 90; 90; 90 | 444.337 | Banys, J.; Guseinov, G.; Wondre, F.R. Powder diffraction study of Tl Ga Te2, Tl In Te2 and Tl In Se2 Materials Letters, 1990, 9, 269-274 |
| 1537729 | CIF | In Te2 Tl | I 4/m c m | 8.478; 8.478; 7.1855 90; 90; 90 | 516.468 | Banys, J.; Wondre, F.R.; Guseinov, G. Powder diffraction study of Tl Ga Te2, Tl In Te2 and Tl In Se2 Materials Letters, 1990, 9, 269-274 |
| 1538030 | CIF | O4 Pt3 | I m -3 | 6.238; 6.238; 6.238 90; 90; 90 | 242.737 | Galloni, E.E.; Roffo, A.E.jr. The crystalline structure of Pt3 O4 Journal of Chemical Physics, 1941, 9, 875-877 |
| 1538077 | CIF | In3 Lu | P m -3 m | 4.5526; 4.5526; 4.5526 90; 90; 90 | 94.358 | Harris, I.R.; Raynor, G.V. Rare earth intermediate phases I. Phases formed with tin and indium Journal of the Less-Common Metals, 1965, 9, 7-19 |
| 1538079 | CIF | In3 Th | P m -3 m | 4.6972; 4.6972; 4.6972 90; 90; 90 | 103.638 | Harris, I.R.; Raynor, G.V. Rare earth intermediate phases I. Phases formed with tin and indium Journal of the Less-Common Metals, 1965, 9, 7-19 |
| 1538121 | CIF | Li22 Si5 | F 2 3 | 19.78; 19.78; 19.78 90; 90; 90 | 7738.89 | Gladyshevskii, E.I.; Oleksiv, G.I.; Kripyakevich, P.I. New examples of the structural type Li22 Pb5 Kristallografiya, 1964, 9, 338-341 |
| 1538123 | CIF | Li22 Si5 | F 2 3 | 18.75; 18.75; 18.75 90; 90; 90 | 6591.8 | Gladyshevskii, E.I.; Oleksiv, G.I.; Kripyakevich, P.I. New examples of the structural type Li22 Pb5 Soviet Physics, Crystallography (= Kristallografiya), 1964, 9, 269-271 |
| 1538160 | CIF | Mn0.5 Zn1.5 | P 63/m m c | 2.7589; 2.7589; 4.4516 90; 90; 120 | 29.344 | Henderson, B.; Willcox, R.J.M. Lattice spacing relationships in hexagonal close-packed silcer-zinc-manganese alloys Philosophical Magazine, Serie 6 (1901-1925), 1964, 9, 829-846 |
| 1538186 | CIF | Mg Sm | P m -3 m | 3.845; 3.845; 3.845 90; 90; 90 | 56.845 | Iandelli, A.; Palenzona, A. Atomic size of rare earths in intermetallic compounds. MX compounds of Cs Cl type Journal of the Less-Common Metals, 1965, 9, 1-6 |
| 1538189 | CIF | Mg Tb | P m -3 m | 3.796; 3.796; 3.796 90; 90; 90 | 54.699 | Iandelli, A.; Palenzona, A. Atomic size of rare earths in intermetallic compounds. MX compounds of Cs Cl type Journal of the Less-Common Metals, 1965, 9, 1-6 |
| 1538245 | CIF | Pr3 Se4 | I -4 3 d | 8.927; 8.927; 8.927 90; 90; 90 | 711.404 | Guittard, M.; Benacerrat, A.; Flahaut, J. Les seleniures L2 Se3 et L3 Se4 des elements des terres rares Annales de Chimie (Paris), 1964, 9, 25-34 |
| 1538247 | CIF | Se4 Sm3 | I -4 3 d | 8.894; 8.894; 8.894 90; 90; 90 | 703.544 | Guittard, M.; Benacerrat, A.; Flahaut, J. Les seleniures L2 Se3 et L3 Se4 des elements des terres rares Annales de Chimie (Paris), 1964, 9, 25-34 |
| 1538553 | CIF | F15 Nb6 | I m -3 m | 8.19; 8.19; 8.19 90; 90; 90 | 549.353 | Schaefer, H.; von Schnering, H.G.; Niehues, K.J.; Nieder Vahrenholz, H.G. Beitraege zur Chemie der Elemente Niob und Tantal. XLVII. Niobfluoride Journal of the Less-Common Metals, 1965, 9, 95-104 |
| 1538729 | CIF | Pd3 Pu | P m -3 m | 4.105; 4.105; 4.105 90; 90; 90 | 69.173 | Nellis, W.J.; Harvey, A.R.; Lander, G.H.; Dunlap, B.D.; Davidson, G.R.; Reddy, J.F.; Brodsky, M.B.; Mueller, M.H. Magnetic properties of Np Pd3 and Pu Pd3 intermetallic compounds Physical Review, Serie 3. B - Solid State (1,1970-17,1977), 1974, 9, 1041-1051 |
| 1539085 | CIF | Cl3 H4 Mn N | P b n m | 7.05; 7.05; 10.23 90; 90; 90 | 508.457 | Shachar, G.; Makovsky, J.; Shaked, H. Neutron diffraction and magnetic measurements of polycrystalline N H4 Mn Cl3 Solid State Communications, 1971, 9, 493-495 |
| 1539154 | CIF | Mo W | I m -3 m | 3.1554; 3.1554; 3.1554 90; 90; 90 | 31.417 | Taylor, A.; Doyle, N.J. The constitution diagram of the tungsten-molybdenum-osmium system Journal of the Less-Common Metals, 1965, 9, 190-205 |
| 1539291 | CIF | Pd Ta | F m -3 m | 4.006; 4.006; 4.006 90; 90; 90 | 64.288 | Waterstrat, R.M.; Giessen, B.C.; Koch, R.; Manuszewski, R.C. The tantalum-palladium constitution diagram Metallurgical Transactions A: Physical Metallurgy and Materials Science, 1978, 9, 643-648 |
| 1539328 | CIF | Na S2 V | R 3 m :H | 3.346; 3.346; 21.02 90; 90; 120 | 203.805 | Wiegers, G.A.; Kloosterboer, H.J.; van Heiningen, H.; van der Meer, R.; Alberink, A.J.A. The sodium intercalates of vanadium disulfide and their hydrolysis products Materials Research Bulletin, 1974, 9, 1261-1261 |
| 1539447 | CIF | Ni5 Zr | F -4 3 m | 6.702; 6.702; 6.702 90; 90; 90 | 301.032 | Smith, E.; Guard, R.W. Investigation of the nickel-rich portion of the system Ni-Zr. Journal of Metals, 1957, 9, 1189-1190 |
| 1539454 | CIF | La5.334 Se4 Te4 | I -4 3 d | 9.343; 9.343; 9.343 90; 90; 90 | 815.566 | Sokolov, V.V.; Kravchenko, L.Kh.; Kamarzin, A.A. The system La2 Te3 - La2 Se3 Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.), 1973, 9, 944-946 |
| 1539494 | CIF | Pr S | F m -3 m | 5.763; 5.763; 5.763 90; 90; 90 | 191.402 | Zhuravlev, N.N.; Stepanova, A.A.; Shebatinov, M.P. X-ray determination of the thermal expansion coefficients of La S, Ce S, Pr S, and Nd S Soviet Physics, Crystallography (= Kristallografiya), 1964, 9, 95-96 |
| 1539498 | CIF | Nd S | F m -3 m | 5.715; 5.715; 5.715 90; 90; 90 | 186.659 | Zhuravlev, N.N.; Stepanova, A.A.; Shebatinov, M.P. X-ray determination of the thermal expansion coefficients of La S, Ce S, Pr S, and Nd S Soviet Physics, Crystallography (= Kristallografiya), 1964, 9, 95-96 |
| 1539602 | CIF | Si3 V5 | I 4/m c m | 9.429; 9.429; 4.756 90; 90; 90 | 422.837 | Aronsson, B. The crystal structure of Mo5 Si3 and W5 Si3 Acta Chemica Scandinavica (1-27,1973-42,1988), 1955, 9, 1107-1110 |
| 1539628 | CIF | Al24 Ca10 Cl5.8 F0.18 K4.72 Na17.28 O120 S6 Si24 | P 3 1 c | 12.8013; 12.8013; 21.4119 90; 90; 120 | 3038.74 | Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S. Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si, Al ordering European Journal of Mineralogy (1,1989-), 1997, 9, 21-30 |
| 1540130 | CIF | Tb Zn | P m -3 m | 3.576; 3.576; 3.576 90; 90; 90 | 45.729 | Iandelli, A.; Palenzona, A. Atomic size of rare earths in intermetallic compounds. MX compounds of Cs Cl type Journal of the Less-Common Metals, 1965, 9, 1-6 |
| 1540137 | CIF | Ba2 Cd Se3 | P n m a | 9.2247; 4.4823; 17.8706 90; 90; 90 | 738.911 | Iglesias, J.E.; Pachali, K.E.; Steinfink, H. Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2 Journal of Solid State Chemistry, 1974, 9, 6-14 |
| 1540138 | CIF | Ba2 Cd S3 | P n m a | 8.9145; 4.3356; 17.2439 90; 90; 90 | 666.472 | Iglesias, J.E.; Pachali, K.E.; Steinfink, H. Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2 Journal of Solid State Chemistry, 1974, 9, 6-14 |
| 1540139 | CIF | Ba Cd S2 | P n m a | 7.2781; 4.167; 13.9189 90; 90; 90 | 422.13 | Iglesias, J.E.; Pachali, K.E.; Steinfink, H. Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2 Journal of Solid State Chemistry, 1974, 9, 6-14 |
| 1540140 | CIF | Ba Cu2 S2 | P n m a | 9.3081; 4.0612; 10.4084 90; 90; 90 | 393.459 | Iglesias, J.E.; Pachali, K.E.; Steinfink, H. Structural chemistry of Ba2 Cd S3, Ba2 Cd S3, Ba Cd S2, Ba Cu2 S2 and Ba Cu2 Se2 Journal of Solid State Chemistry, 1974, 9, 6-14 |
| 1540141 | CIF | Ba Cu2 Se2 | P n m a | 9.5944; 4.2142; 10.7748 90; 90; 90 | 435.654 | Iglesias, J.E.; Pachali, K.E.; Steinfink, H. Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2 Journal of Solid State Chemistry, 1974, 9, 6-14 |
| 1540212 | CIF | H2 Mg0.9 Mn8.12 O18 Si4 | P 21/b 1 1 | 4.872; 10.669; 14.287 100.3; 90; 90 | 730.662 | Kato, T.; Ito, Y.; Hashimoto, N. The crystal structures of sonolite and jerrygibbsite Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1989, 9, 410-430 |
| 1540235 | CIF | Ag9 Al12 O48 Si12 Tl3 | P m -3 m | 12.243; 12.243; 12.243 90; 90; 90 | 1835.12 | Kim Duk-Soo; Song Seong-Hwan; Kim Yang Four crystal structures of dehydrated Ag+ and Tl+ Exchanged Zeolite A, Ag(12-x) Tl(x) - A, x=2, 3, 4, and 5 Bulletin of the Korean Chemical Society, 1988, 9, 303-307 |
| 1540236 | CIF | Ag7 Al12 O48 Si12 Tl5 | P m -3 m | 12.263; 12.263; 12.263 90; 90; 90 | 1844.12 | Kim Duk-Soo; Song Seong-Hwan; Kim Yang Four crystal structures of dehydrated Ag+ and Tl+ Exchanged Zeolite A, Ag(12-x) Tl(x) - A, x=2, 3, 4, and 5 Bulletin of the Korean Chemical Society, 1988, 9, 303-307 |
| 1540533 | CIF | C16 H22 N4 O6 U | P 1 21/c 1 | 10.4376; 5.7148; 15.9916 90; 102.543; 90 | 931.11 | Abney, C. W.; Mayes, R. T.; Piechowicz, M.; Lin, Z.; Bryantsev, V. S.; Veith, G. M.; Dai, S.; Lin, W. XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies Energy Environ. Sci., 2016, 9, 448 |
| 1540676 | CIF | O48 Si24 | P 1 21/n 1 | 19.866; 20.099; 13.362 90; 90.6; 90 | 5335 | Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci., 2016, 9, 1050 |
| 1540677 | CIF | I24 O192 Si96 | P n m a | 20.1; 19.912; 13.386 90; 90; 90 | 5357.5 | Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci., 2016, 9, 1050 |
| 1540678 | CIF | I24 O192 Si96 | P 1 21/n 1 | 13.354; 20.087; 19.868 90; 90.72; 90 | 5329 | Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci., 2016, 9, 1050 |
| 1540679 | CIF | O192 Si96 | P 1 21/n 1 | 13.347; 20.082; 19.827 90; 90.84; 90 | 5313.7 | Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci., 2016, 9, 1050 |
| 1540702 | CIF | C6 H18 Cl3 In O3 S3 | P -1 | 7.7728; 8.7954; 13.4794 81.826; 79.433; 64.156 | 813.27 | Uhl, A. R.; Katahara, J. K.; Hillhouse, H. W. Molecular-ink route to 13.0% efficient low-bandgap CuIn(S,Se)2and 14.7% efficient Cu(In,Ga)(S,Se)2solar cells Energy Environ. Sci., 2016, 9, 130 |
| 1540724 | CIF | C15 H24 N4 O4 | P 1 21 1 | 9.43; 4.738; 18.556 90; 91.27; 90 | 828.9 | Beckmann, Sabrina; Welte, Cornelia; Li, Xiaomin; Oo, Yee M.; Kroeninger, Lena; Heo, Yooun; Zhang, Miaomiao; Ribeiro, Daniela; Lee, Matthew; Bhadbhade, Mohan; Marjo, Christopher E.; Seidel, Jan; Deppenmeier, Uwe; Manefield, Mike Novel phenazine crystals enable direct electron transfer to methanogens in anaerobic digestion by redox potential modulation Energy Environ. Sci., 2016, 9, 644 |
| 1541232 | CIF | As4 Cd2 Ge | P n m a | 7.182; 7.42; 12.671 90; 90; 90 | 675.243 | Mikkelsen, J.C.Jr.; Hong, H.Y.-P. Cd2 Ge As4: A new ternary phase in the Cd1b Ge1b As system Materials Research Bulletin, 1974, 9, 1209-1218 |
| 1541283 | CIF | Al4.2 Cu3.2 Zn0.7 | R 3 :H | 4.111; 4.111; 25.036 90; 90; 120 | 366.43 | Murphy, S. The Structure of the T' Phase in the System Al-Cu-Zn Metal Science, 1975, 9, 163-168 |
| 1541521 | CIF | Mn2.1 O4 Sn0.9 | F d -3 m :1 | 8.771; 8.771; 8.771 90; 90; 90 | 674.757 | Nogues, M.; Poix, P. Effet Jahn-Teller cooperatif dans le systeme Mn3 O4 - Mn2 Sn O4 Journal of Solid State Chemistry, 1974, 9, 330-335 |
| 1541537 | CIF | Ca11.01 Ce1.36 F6.34 Fe0.75 H0.41 La0.27 Mg0.11 Mn0.032 Na2.35 Nb11.62 Nd0.34 O49.66 Sr0.14 Ta0.3 Te0.016 Th0.13 Ti2.85 U0.064 Y0.016 Zr0.24 | F d -3 m :1 | 10.43; 10.43; 10.43 90; 90; 90 | 1134.63 | Perrault, G. La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Canadian Mineralogist, 1968, 9, 383-402 |
| 1541538 | CIF | Ca9.35 Ce1.38 F6.37 Fe0.59 H0.61 La0.21 Mn0.016 Na5.06 Nb12.7 Nd0.19 O49.65 Sn0.048 Sr0.096 Ta0.11 Ti2.24 Y0.032 Zr0.16 | F d -3 m :1 | 10.393; 10.393; 10.393 90; 90; 90 | 1122.59 | Perrault, G. La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Canadian Mineralogist, 1968, 9, 383-402 |
| 1541539 | CIF | Ca9.56 Ce0.7 F3.44 Fe0.41 H1.2 La0.13 Mg0.4 Mn0.016 Na5.04 Nb12.98 Nd0.33 O51.87 Sr0.22 Ta0.048 Te0.016 Th0.34 Ti1.99 Y0.016 Zr0.5 | F d -3 m :1 | 10.428; 10.428; 10.428 90; 90; 90 | 1133.97 | Perrault, G. La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Canadian Mineralogist, 1968, 9, 383-402 |
| 1541540 | CIF | Ca11.21 Ce1.67 F3.59 Fe0.75 H1.26 La0.23 Mn0.128 Na2.1 Nb11.29 Nd0.23 O52.53 Sr0.08 Ta0.5 Ti2.53 U0.064 Y0.064 Zr1.05 | F d -3 m :1 | 10.3947; 10.3947; 10.3947 90; 90; 90 | 1123.15 | Perrault, G. La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Canadian Mineralogist, 1968, 9, 383-402 |
| 1541542 | CIF | Ca8.44 Ce0.3 F7.27 Fe0.21 H0.73 La0.064 Na5.91 Nb14.84 Nd0.064 O48.73 Sr0.27 Th0.016 Ti0.97 Y0.048 Zr0.14 | F d -3 m :1 | 10.4205; 10.4205; 10.4205 90; 90; 90 | 1131.53 | Perrault, G. La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Canadian Mineralogist, 1968, 9, 383-402 |
| 1541595 | CIF | Cr2 Cu0.5 Ga0.5 S4 | F d -3 m :1 | 9.918; 9.918; 9.918 90; 90; 90 | 975.601 | Wilkinson, C.; Knapp, B.M.; Forsyth, J.B. The magnetic structure of Cu0.5 Ga0.5 Cr3 S4 Journal of Physics C, 1976, 9, 4021-4033 |
| 1541627 | CIF | F10 K Yb3 | F m -3 m | 11.431; 11.431; 11.431 90; 90; 90 | 1493.66 | Labeau, M.; Cousseins, J.C.; Aleonard, S.; Boutonnet, R.; Vedrine, A. Etude du systeme K F - Yb F3 Materials Research Bulletin, 1974, 9, 615-624 |
| 1541660 | CIF | B7 I Ni3 O13 | F -4 3 c | 12.016; 12.016; 12.016 90; 90; 90 | 1734.92 | Thornley, F.R.; Kennedy, N.S.J.; Nelmes, R.J. Structural studies of boracites: IV. Thermal motion in cubic Ni3 B7 O13 I at 77 Journal of Physics C, 1976, 9, 681-692 |
| 1541802 | CIF | H12 N3 O15 Y | P -1 | 9.151; 12.097; 6.723 104.52; 112.39; 104.05 | 616.746 | Ribar, B.; Milinski, N.; Budovalcev, Z.; Krstanovic, I. Tetraaquatri(nitrato)yttrium(III) dihydrate, Y (H2 O)4 (N O3)3 * 2 H2 O Crystal Structure Communications, 1980, 9, 203-206 |
| 1541814 | CIF | O Ta2 | I -4 3 m | 6.68; 6.68; 6.68 90; 90; 90 | 298.078 | Steeb, S.; Renner, J. Ermitllung der Struktur des Tantalsuboxyds Ta Oz (Ta2 O) mittels Elektronenbeugung Journal of the Less-Common Metals, 1965, 9, 181-189 |
| 1541865 | CIF | Ce H12 N3 O15 | P -1 | 8.886; 10.671; 6.612 78.76; 102.19; 92.08 | 601.068 | Milinski, N.; Ribar, B.; Sataric, M. Pentaaquatrinitratocerium(III) monohydrate, Ce (H2 O)5 (N O3)3 * H2 O Crystal Structure Communications, 1980, 9, 473-477 |
| 1542067 | CIF | H6 Na2 O18 Si6 Zr | P b m 2 | 7.4; 14.4; 7.05 90; 90; 90 | 751.248 | Neronova, N.N.; Belov, N.V. Crystal structure of elpidite, Na2 Zr (Si6 O15) (H2 O)3 Kristallografiya, 1964, 9, 828-834 |
| 1542099 | CIF | C H4 O6 Pb2 | R 3 m :H | 5.23; 5.23; 23.81999 90; 90; 120 | 564.255 | Voronova, A.A.; Vainshtein, B.K. An electron-diffraction study of the crystal structure of Pb C O3 Pb O (H2 O)2 Kristallografiya, 1964, 9, 197-203 |
| 1542108 | CIF | Bi2 O2.7 | I 4/m m m | 3.85; 3.85; 12.25 90; 90; 90 | 181.576 | Zav'yalova, A.A.; Imamov, R.M.; Pinsker, Z.G. An electron diffraction study of thin films in the Bi-O system Kristallografiya, 1964, 9, 857-863 |
| 1542154 | CIF | Fe1.5 O6 Ta1.5 | P 42/m n m | 4.678; 4.678; 9.147 90; 90; 90 | 200.17 | Norlund Christensen, A.; Johansson, T.; Lebech, B. Magnetic properties and structure of chromium niobium oxide and iron tantalum oxide Journal of Physics C, 1976, 9, 2601-2610 |
| 1542167 | CIF | Cl5 K2 N Os | P n m a | 13.267; 9.842; 6.844 90; 90; 90 | 893.647 | Atovmyan, L.O.; Tkachev, V.V. Crystal structure of a new modification of K2 Os N Cl5 Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1968, 9, 708-710 |
| 1542187 | CIF | O13 V6 | C 1 2/m 1 | 11.922; 3.68; 10.138 90; 100.87; 90 | 436.804 | Dernier, P.D. Structural Investigation of the Metal-Insulator Transition in V6 O13 Materials Research Bulletin, 1974, 9, 955-964 |
| 1543238 | CIF | Li5.05 S12 Sn4.74 | C 1 2/m 1 | 19.217; 3.6996; 6.529 90; 109.056; 90 | 438.7 | Holzmann, T.; Schoop, L. M.; Ali, M. N.; Moudrakovski, I.; Gregori, G.; Maier, J.; Cava, R. J.; Lotsch, B. V. Li0.6[Li0.2Sn0.8S2] ‒ a layered lithium superionic conductor Energy Environ. Sci., 2016, 9, 2578 |
| 1543249 | CIF | Cd3.7 Ge42.3 Rb8 | P m -3 n | 10.9099; 10.9099; 10.9099 90; 90; 90 | 1298.56 | Schäfer, Marion; Bobev, Svilen Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42 Materials, 2016, 9, 236 |
| 1543250 | CIF | Cd3.8 Ge42.2 K8 | P m -3 n | 10.871; 10.871; 10.871 90; 90; 90 | 1284.72 | Schäfer, Marion; Bobev, Svilen Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42 Materials, 2016, 9, 236 |
| 1543251 | CIF | Cd3.6 Cs7.8 Ge42.4 | P m -3 n | 10.9643; 10.9643; 10.9643 90; 90; 90 | 1318.08 | Schäfer, Marion; Bobev, Svilen Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42 Materials, 2016, 9, 236 |
| 1543252 | CIF | Cd4 Cs8 Ge42 | P m -3 n | 10.9643; 10.9643; 10.9643 90; 90; 90 | 1318.08 | Schäfer, Marion; Bobev, Svilen Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42 Materials, 2016, 9, 236 |
| 1543265 | CIF | C102.5 H38 O4 S7 | P -1 | 12.422; 16.732; 18.496 106.88; 94.237; 108.521 | 3429 | Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming Development of isomer-free fullerene bisadducts for efficient polymer solar cells Energy Environ. Sci., 2016, 9, 2114 |
| 1543266 | CIF | C110 H56 O8 | P -1 | 14.1171; 17.2567; 18.6353 101.068; 102.967; 96.525 | 4283.1 | Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming Development of isomer-free fullerene bisadducts for efficient polymer solar cells Energy Environ. Sci., 2016, 9, 2114 |
| 1543267 | CIF | C77 H16 O2.6 | P 1 21/c 1 | 23.316; 10.157; 17.402 90; 98.718; 90 | 4074 | Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming Development of isomer-free fullerene bisadducts for efficient polymer solar cells Energy Environ. Sci., 2016, 9, 2114 |
| 1543846 | CIF | As23 Cu36.152 Eu7 Ni7.848 | F m -3 m | 16.54064; 16.54064; 16.54064 90; 90; 90 | 4525.4 | Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23 Materials, 2016, 9, 587 |
| 1543847 | CIF | As23 Cu44 Eu7 | F m -3 m | 16.64867; 16.64867; 16.64867 90; 90; 90 | 4614.65 | Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23 Materials, 2016, 9, 587 |
| 1543848 | CIF | As23 Co4.779 Cu39.221 Eu7 | F m -3 m | 16.54206; 16.54206; 16.54206 90; 90; 90 | 4526.57 | Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23 Materials, 2016, 9, 587 |
| 1543849 | CIF | As23 Cu37.231 Eu7 Fe6.769 | F m -3 m | 16.62514; 16.62514; 16.62514 90; 90; 90 | 4595.11 | Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23 Materials, 2016, 9, 587 |
| 1543850 | CIF | As23 Cu25.186 Eu7 Ni18.814 | F m -3 m | 16.483; 16.483; 16.483 90; 90; 90 | 4478.25 | Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23 Materials, 2016, 9, 587 |
| 1543851 | CIF | As23 Cu16.835 Eu7 Ni27.165 | F m -3 m | 16.3719; 16.3719; 16.3719 90; 90; 90 | 4388.31 | Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23 Materials, 2016, 9, 587 |
| 1544063 | CIF | C60 H24 Cu3 O15 | I m -3 m | 34.6; 34.6; 34.6 90; 90; 90 | 41422 | Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q. Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage Energy Environ. Sci., 2016, 9, 3279 |
| 1544064 | CIF | C84 H48 Cu3 O15 | I m -3 m | 39.618; 39.618; 39.618 90; 90; 90 | 62184 | Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q. Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage Energy Environ. Sci., 2016, 9, 3279 |
| 1544065 | CIF | C96 H48 Cu3 O15 | I m -3 m | 46.744; 46.744; 46.744 90; 90; 90 | 102136 | Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q. Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage Energy Environ. Sci., 2016, 9, 3279 |
| 1544139 | CIF | C14 H13 B F4 N S | P 1 21/n 1 | 7.1696; 17.3429; 11.1994 90; 106.232; 90 | 1337.04 | Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A. High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries Energy Environ. Sci., 2016, 9, 3531 |
| 1544140 | CIF | C15 H15 B F4 N O S | P 1 21/c 1 | 6.8493; 10.8341; 19.2816 90; 90.004; 90 | 1430.81 | Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A. High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries Energy Environ. Sci., 2016, 9, 3531 |
| 1544141 | CIF | C15 H15 N O S | P 1 21/n 1 | 8.7624; 7.6786; 19.134 90; 99.37; 90 | 1270.2 | Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A. High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries Energy Environ. Sci., 2016, 9, 3531 |
| 1544142 | CIF | C17 H19 B F4 N O2 S | P 1 21/c 1 | 7.0364; 12.4613; 19.4044 90; 98.2495; 90 | 1683.82 | Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A. High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries Energy Environ. Sci., 2016, 9, 3531 |
| 1544659 | CIF | C22 H12 I N6 O3 Re | P 1 21/n 1 | 7.0191; 18.0476; 16.9652 90; 99.85; 90 | 2117.44 | Wedding, J. L.; Harris, H. H.; Bader, C. A.; Plush, S. E.; Mak, R.; Massi, M.; Brooks, D. A.; Lai, B.; Vogt, S.; Werrett, M. V.; Simpson, P. V.; Skelton, B. W.; Stagni, S. Intracellular distribution and stability of a luminescent rhenium(i) tricarbonyl tetrazolato complex using epifluorescence microscopy in conjunction with X-ray fluorescence imaging. Metallomics : integrated biometal science, 2017, 9, 382-390 |
| 1544671 | CIF | Mn O3 Si | P 1 21/c 1 | 9.864; 9.179; 5.298 90; 108.22; 90 | 455.64 | Tokonami, M.; Horiuchi, H.; Nakano, A.; Akimoto, S.; Morimoto, N. The crystal structure of the pyroxene-type MnSiO3 Mineralogical Journal, 1979, 9, 424-426 |
| 1544672 | CIF | Mg0.315 Mn0.685 O3 Si | P -1 | 7.545; 11.782; 6.663 92.69; 94.32; 105.71 | 567.2 | Murakami, T.; Takeuchi, Y. Structure of synthetic rhodonite, Mn0.685Mg0.315SiO3, and compositional transformations in pyroxenoids Mineralogical Journal, 1979, 9, 286-304 |
| 1544707 | CIF | C13 H4 F10 N4 O | P 1 21/c 1 | 14.6959; 7.2819; 13.7456 90; 94.301; 90 | 1466.83 | Chowdhury, Additi Roy; Ghosh, Pritam; Paul, Suparna; Bhuyan, Samuzal; Bose K, Jagadeesh C.; Mukhopadhyay, Sudit; Banerjee, Priyabrata A novel ditopic chemosensor for cadmium and fluoride and its possible application as a pH sensor Anal. Methods, 2017, 9, 124 |
| 1544745 | CIF | C372 H446 Cd24 Eu8 N24 O142 | P -4 n 2 | 42.723; 42.723; 37.856 90; 90; 90 | 69097 | Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors. Nanoscale, 2017, 9, 517-521 |
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