Crystallography Open Database
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Searching space group like 'I 1 2/a 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7715511 | CIF | C26 H26 Ba N4 O12 S2 | I 1 2/a 1 | 26.215; 7.9077; 31.5526 90; 113.318; 90 | 6006.6 | Rybczyńska, Małgorzata; Sikorski, Artur Structural insight and <i>in silico</i> prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6501-6506 |
| 7715605 | CIF | C24 H30 N Nb O5 | I 1 2/a 1 | 20.5797; 7.4688; 31.9583 90; 108.275; 90 | 4664.4 | Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B. Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone. Dalton transactions (Cambridge, England : 2003), 2024, 53, 7073-7080 |
| 7715652 | CIF | C37 H50 K2 Ni O7 | I 1 2/a 1 | 26.5914; 15.6226; 19.9575 90; 98.408; 90 | 8201.8 | Borys, Andryj M.; Vedani, Luca; Hevia, Eva The coordination of alkali-metal nickelates to organic π-systems: Synthetic, structural and spectroscopic insights Dalton Transactions, 2024 |
| 7715773 | CIF | C14 H22 B N | I 1 2/a 1 | 14.22709; 15.98244; 23.7578 90; 100.083; 90 | 5318.7 | Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg; Lamm, Jan-Hendrik; Mitzel, Norbert Werner Bidentate Boron Lewis Acids: Synthesis by Tin Boron Exchange Reaction and Host-Guest Complex Formation Dalton Transactions, 2024 |
| 7715783 | CIF | C144 H196 Ce N17 O16 | I 1 2/a 1 | 33.8407; 11.2636; 36.7134 90; 95.286; 90 | 13934.5 | Katoh, Keiichi; Kobayashi, Kana; Suzuki, Michiyuki; Sato, Tetsu; Horii, Yoji; Yoshida, Takefumi; Breedlove, Brian. K.; Yamashita, Masahiro Spin Dynamics Phenomena of a Cerium(III) Double-Decker Complex Induced by Intramolecular Electron Transfer Dalton Transactions, 2024 |
| 7715966 | CIF | C25 H33 Cl Cu P2 S | I 1 2/a 1 | 28.5608; 9.7959; 18.4297 90; 99.998; 90 | 5077.9 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
| 7715967 | CIF | C23 H33 Cl Cu P2 S | I 1 2/a 1 | 17.2149; 9.9874; 29.208 90; 105.951; 90 | 4828.4 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
| 7715969 | CIF | C25 H33 Ag Cl P2 S | I 1 2/a 1 | 29.1911; 9.7656; 18.4336 90; 98.632; 90 | 5195.3 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
| 7715971 | CIF | C25 H33 Ag Cl P2 S | I 1 2/a 1 | 29.324; 9.7516; 18.3994 90; 98.631; 90 | 5201.8 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
| 7716037 | CIF | C22 H30 Cl2 N4 O Ru S | I 1 2/a 1 | 17.852; 18.543; 16.781 90; 116.8; 90 | 4958 | Kılınçarslan, Rafet; Tuncer, Hayriye; Özdemir, Namık; Çetinkaya, Bekir Vitamin B1-based thiazol-2-ylidene–Ru(ii) complexes: recyclable transfer hydrogenation catalysts in water Dalton Transactions, 2024 |
| 8000173 | CIF | C31 H29 Cl3 Co N4 O4 | I 1 2/a 1 | 9.352; 15.145; 26.961 90; 54.24; 90 | 3099 | Yoshida, Jun; Nishikiori, Shin-ichi; Kuroda, Reiko Construction of Supramolecular Complexes by Use of Planar Bis(β-diketonato)cobalt(II) Complexes as Building Blocks Chemistry Letters, 2007, 36, 678 |
| 8100225 | CIF | Ca Mo O4 | I 1 2/a 1 | 5.0342; 10.7683; 5.1084 90; 90.957; 90 | 276.885 | Crichton, Wilson A.; Grzechnik, Andrzej Crystal structure of calcium molybdate, CaMoO~4~, a scheelite-type to fergusonite-type transition in powellite at P 15 GPa Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 337-338 |
| 8100526 | CIF | C20 H27 Br O | I 1 2/a 1 | 24.359; 6.9025; 19.369 90; 99.76; 90 | 3209.6 | Wattenbach, Carsten; Lenoir, Dieter; Chiappe, Cinzia; Müller, Ulrich Crystal structure of 2,4'-oxa-2'-bromo-2,2'-bisadamantane, C~20~H~27~BrO Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 119-120 |
| 8100994 | CIF | C20 H27 Cl2 Cu0.5 N2 | I 1 2/a 1 | 13.206; 9.37; 33.354 90; 97.95; 90 | 4087.6 | Kamel, L. T.; El Essawi, M.; Wartchow, R.; Berthold, H. J. Crystal structure of bis[(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-2- methyl-propyl-dimethyl-ammonium] tetrachlorocuprate(II), (C~20~H~27~N~2~)~2~[CuCl~4~] Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 359-360 |
| 8101273 | CIF | C6 H13 Li3 O11 | I 1 2/a 1 | 18.177; 12.304; 20.595 90; 90.31; 90 | 4606 | Schreuer, Jürgen; Haussühl, Siegfried The pseudo-orthorhomic crystal structure of monoclinic trilithium citrate tetrahydrate, Li~3~HOC(COO)(CH~2~COO)~2~ · 4H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 369-370 |
| 8101670 | CIF | Bi12 Cl4 O16 | I 1 2/a 1 | 5.6954; 5.6476; 18.573 90; 91.523; 90 | 597.19 | Eggenweiler, U.; Keller, E.; Krämer, V.; Meyer, C.A.; Ketterer, J. Crystal structure of tribismuth tetraoxide chloride, Bi~3~O~4~Cl Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 695-695 |
| 8101963 | CIF | C28 H28 N4 O8 S2 | I 1 2/a 1 | 23.82; 9.166; 26.778 90; 95.579; 90 | 5819 | Jing, L.-H.; Qin, D.-B.; Gu, S.-J.; Zhang, H.-X.; Mao, Z.-H. Crystal structure of N,N'-bis(4-nitrophenyl)-1,4-naphthalene-dicarboxamide bis(dimethylsulfoxide) solvate, C~24~H~16~N~4~O~6~ · 2C~2~H~6~OS Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 200-202 |
| 8103753 | CIF | Ca2 Na2 O7 Si2 | I 1 2/a 1 | 10.4906; 10.3762; 24.5349 90; 91.217; 90 | 2670.08 | Kahlenberg, V.; Hooesch, A. The crystal structure of Na2 Ca2 Si2 O7 - a mixed anion silicate with defect perovskite characteristics Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 155-163 |
| 8103804 | CIF | K1.333 Na0.667 O5 Si2 | I 1 2/a 1 | 12.731; 7.321; 17.827 90; 100.85; 90 | 1631.84 | Rakic, S.; Schmidt, B.C.; Kahlenberg, V. High pressure mixed alkali disilicates in the system Na2-x Kx Si2 O5: hydrothermal synthesis and crystal structures of Na K Si2 O5 - II and Na0.67 K1.33 Si2 O5 Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 413-420 |
| 8103811 | CIF | H8 K2 Mn O12 S2 | I 1 2/a 1 | 12.035; 9.549; 19.839 90; 94.99; 90 | 2271.3 | Hertweck, B.; Schultz, A.J.; Libowitzky, E. The hydrogen bond system of Mn-leonite: neutron diffraction results in comparison with IR spectroscopic data Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 403-412 |
| 8104754 | CIF | C8 H14 Br2 N2 | I 1 2/a 1 | 9.0331; 13.4475; 27.586 90; 94.879; 90 | 3338.8 | Brandt, Niklas; Reiss, Guido J. The twinned crystal structure of 1,3-phenylenedimethanaminium dibromide, C8H14Br2N2 Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 519-521 |
| 8104807 | CIF | C3 H9 Cl2 N | I 1 2/a 1 | 8.7694; 9.6963; 14.8577 90; 98.266; 90 | 1250.24 | Muller, Kina; Hosten, Eric C.; Betz, Richard The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 285-286 |
| 8104808 | CIF | C4 H11 Cl2 N | I 1 2/a 1 | 13.2374; 8.2108; 14.0114 90; 93.294; 90 | 1520.4 | Muller, Kina; Hosten, Eric C.; Betz, Richard The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 287-289 |
| 8104875 | CIF | C10 H16 Cu O14 | I 1 2/a 1 | 7.2407; 9.7565; 21.1814 90; 93.913; 90 | 1492.85 | Oguntade, Bukunola K.; Hulushe, Siya T.; Hosten, Eric C.; Watkins, Gareth M. Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C10H16O14Cu Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 37-38 |
| 8105205 | CIF | C10 H10 Cl6 N2 Sn | I 1 2/a 1 | 7.4941; 12.8731; 15.8688 90; 93.042; 90 | 1528.74 | Reiss, Guido J.; van Megen, Martin The twinned crystal structure of [4,4′-bipyridine]-1,1′-diium hexachloridostannate(IV), C10H10N2SnCl6 Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 281-284 |
| 8105211 | CIF | C34 H24 N4 O4 Zn | I 1 2/a 1 | 18.2546; 11.051; 16.1874 90; 119.605; 90 | 2839.2 | Wang, Li-Hua; Tai, Xi-Shi; Xia, Yu-Pei The crystal structure of catena-poly[(m2-4,4′-bipyridine-κ2 N:N)-bis(6-phenylpyridine-2-carboxylato-κ2 N,O) zinc(II)], C34H24N4O4Zn Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 305-307 |
| 8105279 | CIF | C16 H32 Cs I7 O8 | I 1 2/a 1 | 16.386; 11.705; 19.005 90; 108.008; 90 | 3466.6 | Bloukh, Samir Haj; Edis, Zehra Crystal structure and antimicrobial properties of (1,4,7,10-tetraoxacyclododecane-κ4 O,O′,O′′,O′′′)cesium(I) pentaiodide, C16H32CsI5O8 Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 759-761 |
| 8105300 | CIF | C12 H30 Ag2 N4 O11 S2 | I 1 2/a 1 | 12.2643; 7.1481; 26.2858 90; 93.119; 90 | 2301 | Jiang, Jin-Ke; Li, Xi-Xi; Wu, Hua; Dong, Xian-Wu; Jiang, Hui Crystal structure of catena-poly[aqua(μ6-piperazine-1,4-bisethanesulfonato-κ6 N:N′:O:O′:O′′:O′′′)(μ2-pyrazinyl-κ2 N:N′)disilver(I)sesquihydrate], C12H30Ag2N4O11S2 Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 831-832 |
| 8105318 | CIF | C28 H24 Cl12 N4 Ni2 O18 | I 1 2/a 1 | 37.804; 6.086; 19.3025 90; 98.104; 90 | 4396.7 | Du, Zhong-Xiang; Li, Jun-Xia Crystal structure of tetraaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κO)-nickel(II)—diaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-nickel(II), C28H24Cl12N4Ni2O18 Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 881-883 |
| 8105320 | CIF | C28 H26 Cl6 N4 Ni O8 | I 1 2/a 1 | 15.7577; 12.6174; 16.7333 90; 99.609; 90 | 3280.3 | Li, Jun-Xia; Du, Zhong-Xiang The crystal structure of catena-poly[(μ2-4,4′-dipyridine-κ2 N,N′)-bis(3,5,6-trichloropyridine-2-oxyacetato-κO)-bis(ethanol-κO)nickel(II)], C28H26Cl6N4NiO8 Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 887-890 |
| 8105650 | CIF | C52 H40 Mn2 N2 O10 | I 1 2/a 1 | 8.6162; 11.0217; 45.266 90; 92.828; 90 | 4293.5 | Chen, Shi-Jun; Li, Shi-Hui; Wang, Wei-Hua; Long, Yong-Fu; Zhang, Wen-Lai; Wang, Tao; Xu, Yan-Li Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2 N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4 O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2 Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 373-375 |
| 8105677 | CIF | C9 H5 Cl3 N1.5 O4 Tb0.5 | I 1 2/a 1 | 9.8281; 11.8792; 21.1568 90; 91.1599; 90 | 2469.55 | Liu, Guang-Zhen; Xin, Ling-Yun; Li, Xiao-Ling Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2 O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2 O:O′)terbium(III), C18H10Cl6N3O8Tb Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 449-450 |
| 8105752 | CIF | C14 H13 N3 O4 | I 1 2/a 1 | 11.4188; 3.7968; 30.232 90; 96.037; 90 | 1303.44 | Jian-Ge, Wang; Hua-Rui, Wang The crystal structure of ammonium (E)-4-((4-carboxyphenyl)diazenyl)benzoate, C14H13N3O4 Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 569-570 |
| 8105771 | CIF | C11 H9 Co N3 O4 | I 1 2/a 1 | 12.6503; 8.0959; 22.9723 90; 99.424; 90 | 2321 | Li, Xiao-Jun; Zeng, Xu-Li; Che, Li-Rui; Xu, Zhen Crystal structure of poly[(μ 4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4 N,N′,O,O′)(formiato-κ1 O)cobalt(II)], C11H9CoN3O4 Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 533-534 |
| 8105781 | CIF | C12 H12 N3 O6 Zn | I 1 2/a 1 | 17.6153; 6.6922; 24.133 90; 107.899; 90 | 2707.23 | Feng-Yang, Ju; Ke-Xin, Ding; Fang, Liu Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2 N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2 O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6 Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 567-569 |
| 8105900 | CIF | C14 H12 Br4 Sn | I 1 2/a 1 | 12.6379; 4.9674; 26.1845 90; 94.507; 90 | 1638.71 | Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T. Crystal structure of dibromidobis(4-bromobenzyl)tin(IV), C14H12Br4Sn Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 947-948 |
| 8105944 | CIF | C28 H23 F2 N3 O S | I 1 2/a 1 | 20.3481; 10.2647; 23.6975 90; 105.317; 90 | 4773.8 | Alotaibi, Mohammad Hayal; Abdel-Wahab, Bakr F.; Aldosari, Obaid Fahad; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A. The crystal structure of N-(7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbonothioyl)benzamide, C28H23F2N3OS Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 1083-1085 |
| 8105954 | CIF | C32 H30 N4 O4 S2 | I 1 2/a 1 | 21.2034; 5.0614; 27.5987 90; 105.991; 90 | 2847.3 | Tan, Sang Loon; Tiekink, Edward R.T. Crystal structure of the co-crystal 4-[(4-carboxyphenyl)disulfanyl]benzoic acid–(1E,4E)-1-N,4-N-bis(pyridin-4-ylmethylidene)cyclohexane-1,4-diamine (1/1), C14H10O4S2⋅C18H20N4 Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 1121-1123 |
| 8106188 | CIF | C9.5 H7 F2 I N | I 1 2/a 1 | 20.997; 4.4785; 23.242 90; 113.532; 90 | 2003.8 | Dang, Limin; Huang, Saijin; Yin, Aiwu Halogen bonds in the crystal structure of 1,4-diiodotetrafluorobenzene–1,2-bis(4-pyridyl)propane (1/1), C19H14F4I2N2 Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 473-475 |
| 8106285 | CIF | C100 H60 Cd4 N12 O16 | I 1 2/a 1 | 21.2654; 11.1493; 17.3039 90; 97.774; 90 | 4064.95 | Song, Wei; Xu, Xue-Li; Yang, Yan-Ju; Li, Shi-Hui Crystal structure of catena-poly[(μ3-5-carboxy-2-(pyridin-4-yl)benzoato-κ5 O,O′:O′′,O′′′:O′′′)(1,10-phenanthroline-κ2 N,N′)cadmium(II)], C100H60N12O16Cd4 Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 755-756 |
| 8106523 | CIF | C30 H14 Cl2 F4 I2 N4 | I 1 2/a 1 | 17.3143; 8.7081; 19.6795 90; 101.795; 90 | 2904.5 | Wang, Jian-Ge; Wang, Weizhou Crystal structure of halogen-bonded 2-chloro-1,10-phenanthroline—1,4-diiodotetrafluorobenzene (2/1), C30H14Cl2F4I2N4 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 323-324 |
| 8107229 | CIF | C24 H16 Br2 N2 O4 Zn | I 1 2/a 1 | 7.4191; 24.458; 25.81 90; 92.426; 90 | 4679.2 | Yang, Xiuyan; Luo, Yingchun Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 833-835 |
| 8107315 | CIF | C14 H13 Cl N2 O4 | I 1 2/a 1 | 13.257; 16.161; 13.262 90; 97.47; 90 | 2817.2 | Liu, Kun; Han, Qiang; Zhao, Kai-Hui; Zhong, Qi-Di; Zhang, Zhi-Fei Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4- hydroxybenzohydrazide-water (1/1), C14H13Cl1N2O4 Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 1135-1136 |
| 8107352 | CIF | C16 H18 O8 Zn | I 1 2/a 1 | 12.152; 5.0051; 27.273 90; 101.536; 90 | 1625.3 | Huang, Yujiao; Li, Ben; Miao, Siyi; Luo, Linhui; Pang, Haixia; Tang, Qiang Crystal structure of diaqua-bis(4-(hydroxymethyl)-benzoato-k1 O)zinc(II), C16H18O8Zn Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 57-59 |
| 8107395 | CIF | C11 H14 N2 S2 | I 1 2/a 1 | 11.4278; 8.5816; 25.1115 90; 95.173; 90 | 2452.6 | Duan, Yong-Hua; Yuan, Fei; Hu, Shi-Biao; Bian, Jiang; Guo, Ya-Fei Crystal structure of S-(benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine, C11H14N2S2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 203-205 |
| 8107629 | CIF | C13 H17 N6 O2 | I 1 2/a 1 | 13.2666; 11.0435; 19.778 90; 92.707; 90 | 2894.4 | Wang, Zhi-Yong; Qian, Peng-Xin; Yang, Xian-Jiong; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C13H17N6O2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1025-1026 |
| 8107647 | CIF | C33 H34 N4 O10 Re2 | I 1 2/a 1 | 20.817; 7.8774; 21.8896 90; 110.596; 90 | 3360.11 | Habarurema, Gratien; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of fac-tricarbonyl-2-((E)-(3-amino-2-hydroxypropylimino) methyl)phenol rhenium(I) toluene solvate, C33H34N4O10Re2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 38-40 |
| 8107720 | CIF | C18 H19 Cl N4 O2 S | I 1 2/a 1 | 15.771; 11.101; 22.072 90; 101.986; 90 | 3780 | Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of (6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride, C18H19ClN4O2S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 69-70 |
| 9000670 | CIF | B4 Ca2 Cl H21 O18 | I 1 2/a 1 | 22.783; 8.745; 17.066 90; 96.705; 90 | 3376.93 | Brown, G. E.; Clark, J. R. Crystal structure of hydrochlorborite, Ca2[B3O3(OH)4.OB(OH)3]Cl.7H2O, a seasonal evaporite mineral American Mineralogist, 1978, 63, 814-823 |
| 9000727 | CIF | Al1.9 Ca0.899 H4 Na0.139 O14 Si4.1 | I 1 2/a 1 | 13.692; 13.643; 13.56 90; 90.5; 90 | 2532.91 | Takeuchi, Y.; Mazzi, F.; Haga, N.; Galli, E. The crystal structure of wairakite American Mineralogist, 1979, 64, 993-1001 |
| 9001106 | CIF | Ce O6 Ti2 | I 1 2/a 1 | 5.178; 8.756; 9.768 90; 93.52; 90 | 442.032 | Nickel, E. H.; Grey, I. E.; Madsen, I. C. Lucasite-(Ce), CeTi2(O,OH)6, a new mineral from Western Australia: Its description and structure American Mineralogist, 1987, 72, 1006-1010 |
| 9001751 | CIF | Ca D4 O6 S | I 1 2/a 1 | 5.674; 15.1049; 6.4909 90; 118.513; 90 | 488.829 | Schofield, P. F.; Knight, K. S.; Stretton, I. C. Thermal expansion of gypsum investigated by neutron powder diffraction T = 4.2 K American Mineralogist, 1996, 81, 847-851 |
| 9001752 | CIF | Ca D4 O6 S | I 1 2/a 1 | 5.6742; 15.1236; 6.5018 90; 118.495; 90 | 490.357 | Schofield, P. F.; Knight, K. S.; Stretton, I. C. Thermal expansion of gypsum investigated by neutron powder diffraction T = 150 K American Mineralogist, 1996, 81, 847-851 |
| 9001753 | CIF | Ca D4 O6 S | I 1 2/a 1 | 5.6769; 15.2074; 6.5277 90; 118.494; 90 | 495.279 | Schofield, P. F.; Knight, K. S.; Stretton, I. C. Thermal expansion of gypsum investigated by neutron powder diffraction T = 320 K American Mineralogist, 1996, 81, 847-851 |
| 9002027 | CIF | N O P | I 1 2/a 1 | 8.5173; 4.7453; 10.399 90; 90; 90 | 420.298 | Chateau, C.; Haines, J.; Leger, J. M.; LeSauze, A.; Marchand, R. A moganite-type phase in the silica analog phosphorus oxynitride American Mineralogist, 1999, 84, 207-210 |
| 9002182 | CIF | K0.46 Mn1.988 O9.439 Si3.184 | I 1 2/a 1 | 5.55; 13.539; 25.134 90; 93.928; 90 | 1884.17 | Noe, D. C.; Veblen, D. R. Incommensurate modulation and the crystal structure of ganophyllite American Mineralogist, 1999, 84, 1088-1098 |
| 9002639 | CIF | H8 K2 Mg O12 S2 | I 1 2/a 1 | 11.78; 9.486; 19.73 90; 95.23; 90 | 2195.55 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 170 K American Mineralogist, 2001, 86, 1282-1292 |
| 9002642 | CIF | H8 K2 Mn O12 S2 | I 1 2/a 1 | 12.035; 9.549; 19.839 90; 94.99; 90 | 2271.3 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 185 K American Mineralogist, 2001, 86, 1282-1292 |
| 9002648 | CIF | O2 Si | I 1 2/a 1 | 8.7371; 4.8692; 10.7217 90; 90.193; 90 | 456.127 | Heaney, P. J.; Post, J. E. Evidence for an I2/a to Imab phase transition in the silica polymorph moganite at ~570 K Sample: T = 298 K, neutron American Mineralogist, 2001, 86, 1358-1366 |
| 9004424 | CIF | As3 Cd Cu1.5 H4 O14 Zn2 | I 1 2/a 1 | 11.654; 12.78; 6.84 90; 99.11; 90 | 1005.89 | Cooper, M. A.; Hawthorne, F. C. The crystal structure of keyite, Cu3(Zn,Cu)4Cd2(AsO4)6(H2O)2, an oxysalt mineral with essential cadmium The Canadian Mineralogist, 1996, 34, 623-630 |
| 9004732 | CIF | As3 Ba0.01 Ca0.68 Fe0.27 Mg0.52 Mn2.21 Na1.25 O12 Pb0.06 | I 1 2/a 1 | 6.8113; 13.0358; 11.3245 90; 100.25; 90 | 989.464 | Tait, K. T.; Hawthorne, F. C. Refinement of the crystal structure of arseniopleite: Confirmation of its status as a valid species The Canadian Mineralogist, 2003, 41, 71-77 |
| 9004840 | CIF | Al0.06 As3 Ca0.01 Cu1.6 Fe0.25 K0.03 Mg2.09 Na0.77 O12 Pb0.01 | I 1 2/a 1 | 6.752; 12.739; 11.068 90; 100.37; 90 | 936.45 | Tait, K. T.; Hawthorne, F. C. Johillerite from Tolbachik, Kamchatka Peninsula, Russia: Crystal-structure refinement and chemical composition The Canadian Mineralogist, 2004, 42, 717-722 |
| 9005115 | CIF | O2 Si | I 1 2/a 1 | 8.758; 4.876; 10.715 90; 90.08; 90 | 457.573 | Miehe, G.; Graetsch, H. Crystal structure of moganite: a new structure type of silica European Journal of Mineralogy, 1992, 4, 693-706 |
| 9005600 | CIF | Al2 Ca0.959 H2.04 Na0.041 O13.82 Si4 | I 1 2/a 1 | 13.666; 13.623; 13.531 90; 90.5; 90 | 2519 | Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A. High-temperature crystal structure of wairakite Sample: Wai-20, T = 20 deg C European Journal of Mineralogy, 2003, 15, 475-484 |
| 9005748 | CIF | Fe1.1 Mn0.81 O5 P | I 1 2/a 1 | 11.835; 6.328; 9.983 90; 105.81; 90 | 719.363 | Keller, P.; Lissner, F.; Schleid, T. The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju, Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O Locality: Okatjimukuju, Karibib, Namibia Note: Uiso(O4) corrected European Journal of Mineralogy, 2006, 18, 113-118 |
| 9006646 | CIF | Ca D4 O6 S | I 1 2/a 1 | 5.6769; 15.2074; 6.5277 90; 118.494; 90 | 495.279 | Knight, K. S.; Stretton, I. C.; Schofield, P. F. Temperature evolution between 50 K and 320 K of the thermal expansion tensor of gypsum derived from neutron powder diffraction data Sample: T = 320 K Physics and Chemistry of Minerals, 1999, 26, 477-483 |
| 9007883 | CIF | Al As Cu2 H12 O12 | I 1 2/a 1 | 12.664; 7.563; 9.914 90; 91.32; 90 | 949.289 | Burns, P. C.; Eby, R. K.; Hawthorne, F. C. Refinement of the structure of liroconite, a heteropolyhedral framework oxysalt mineral Acta Crystallographica, Section C, 1991, 47, 916-919 |
| 9007887 | CIF | Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 | I 1 2/a 1 | 5.578; 15.006; 6.275 90; 117.83; 90 | 464.488 | Kohlmann, M.; Sowa, H.; Reithmayer, K.; Schulz, H.; Kruger, R. R.; Abriel, W. Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation Note: anisoU's taken from ICSD Note: isostructural with gypsum Acta Crystallographica, Section C, 1994, 50, 1651-1652 |
| 9008178 | CIF | Ca0.1 F Fe0.25 Mg0.7 Mn0.95 O4 P | I 1 2/a 1 | 12.065; 6.454; 9.937 90; 107.093; 90 | 739.591 | Waldrop, L. The crystal structure of triplite, (Mn,Fe)2FPO4 Zeitschrift fur Kristallographie, 1969, 130, 1-14 |
| 9008387 | CIF | Al1.8 H4 Na1.8 O14 Si4 | I 1 2/a 1 | 13.689; 13.676; 13.665 90; 90.38; 90 | 2558.18 | Pechar, F. The crystal structure of natural monoclinic analcime (NaAlSi2O6*H2O) Note: z(H1) adjusted to match reported bond angle Zeitschrift fur Kristallographie, 1988, 184, 63-69 |
| 9009485 | CIF | As2.892 Ca1.91 Mg0.56 Mn1.77 Na1.376 O12 P0.09 Pb0.384 V0.018 | I 1 2/a 1 | 6.855; 13.147; 11.479 90; 98.97; 90 | 1021.87 | Ercit, T. S. Caryinite revisited Mineralogical Magazine, 1993, 57, 721-727 |
| 9009712 | CIF | F0.68 Fe0.88 H2 Mg0.89 Mn0.23 O4.32 P | I 1 2/a 1 | 12.035; 6.432; 9.799 90; 108.12; 90 | 720.914 | Tadini C Magniotriplite: its crystal structure and relation to the triplite-triploidite group Locality: a pegmatite of the Valmy, Alberes massif, Pyrenees, France Bulletin de Mineralogie, 1981, 104, 677-680 |
| 9009751 | CIF | Ce Nb O4 | I 1 2/a 1 | 5.535; 11.3991; 5.159 90; 94.6; 90 | 324.454 | Santoro A; Marezio M; Roth R S; Minor D Neutron powder diffraction study of the structures of CeTaO4, CeNbO4, and NdTaO4 Journal of Solid State Chemistry, 1980, 35, 167-175 |
| 9009753 | CIF | Nd O4 Ta | I 1 2/a 1 | 5.5115; 11.232; 5.1112 90; 95.71; 90 | 314.84 | Santoro, A.; Marezio, M.; Roth, R. S.; Minor, D. Neutron powder diffraction study of the structures of CeTaO4, CeNbO4, and NdTaO4 Journal of Solid State Chemistry, 1980, 35, 167-175 |
| 9009872 | CIF | C2 H8 Cl3 Cu N | I 1 2/a 1 | 12.09; 8.63; 14.49 90; 97.5; 90 | 1498.91 | Willett, Roger D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics, 1966, 44, 39-42 |
| 9011735 | CIF | Fe0.48 Mn1.436 O5 P | I 1 2/a 1 | 11.888; 6.409; 9.804 90; 106.17; 90 | 717.418 | Keller, P.; Lissner, F.; Schleid, T. The crystal structure of joosteite, (Mn2+,Mn3+,Fe3+)2[PO4]O, from the Helikon II mine, Karibib (Namibia), and its relationship to stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O Note: M1 and M2 Fe/Mn occupancies not determined, below are estimates Locality: Helikon II mine, Karibib, Namibia Neues Jahrbuch fur Mineralogie, Abhandlungen, 2007, 184, 225-230 |
| 9011803 | CIF | Al Ca0.5 H2 O7 Si2 | I 1 2/a 1 | 13.694; 13.644; 13.576 90; 90.46; 90 | 2536.47 | Henderson, C. M. B.; Bell, A. M. T.; Kohn, S. C.; Page, C. S. Leucite-pollucite structure-type variability and the structure of a synthetic end-member calcium wairakite (CaAl2Si4O12*2(H2O)) Mineralogical Magazine, 1998, 62, 165-178 |
| 9012363 | CIF | S16 | I 1 2/a 1 | 19.541; 9.431; 8.831 90; 105.11; 90 | 1571.21 | Steudel, R.; Steidel, J.; Reinhardt, R. X-ray structural analyses of cyclodecasulfur (S10) and of a cyclohexasulfur-cyclodecasulfur molecular addition compound (S6*S10) Locality: synthetic Sample: at T = 163 K Note: structure pertaining to mix of S6 and S10 Zeitschrift fur Naturforschung B, 1983, 38, 1548-1556 |
| 9014205 | CIF | Ca0.978 H8 O10 Sr0.022 V2 | I 1 2/a 1 | 14.6389; 6.9591; 17.052 90; 102.568; 90 | 1695.52 | Kampf, A. R.; Marty, J.; Nash, B. P.; Plasil, J.; Kasatkin, A. V.; Skoda, R. Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4 Mineralogical Magazine, 2012, 76, 2803-2817 |
| 9014603 | CIF | As0.27 Ca0.05 Dy0.07 Er0.05 Gd0.02 Nb0.68 Nd0.01 O4 Si0.01 Ta0.01 Tb0.01 Th0.01 U0.02 W0.06 Y0.7 Yb0.01 | I 1 2/a 1 | 5.1794; 11.089; 5.1176 90; 91.282; 90 | 293.853 | Guastoni, A.; Camara, F.; Nestola, F. Arsenic-rich fergusonite-beta-(Y) from Mount Cervandone (Western Alps, Italy): Crystal structure and genetic implications American Mineralogist, 2010, 95, 487-494 |
| 9015469 | CIF | Al Na O6 Si2 | I 1 2/a 1 | 13.7249; 13.527; 13.6938 90; 90.18; 90 | 2542.33 | Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V. The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0 GPa Mineralogical Magazine, 2012, 76, 129-142 |
| 9015570 | CIF | O5 Pb2 Te | I 1 2/a 1 | 7.5353; 5.7142; 10.8981 90; 91.33; 90 | 469.126 | Kampf, A. R.; Housley, R. M.; Mills, S. J.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra American Mineralogist, 2010, 95, 1329-1336 |
| 9016228 | CIF | Cu3 H6 O11 V2 | I 1 2/a 1 | 10.6418; 5.8485; 14.4157 90; 95.443; 90 | 893.17 | Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z. Orbital Switching in a Frustrated Magnet Nature Communications, 2012, 3, 860-865 |
| 9016970 | CIF | Al Ca0.44 H4.09 O6.045 Si | I 1 2/a 1 | 9.79; 10.437; 9.79 90; 90.97; 90 | 1000.18 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 75 C, Path 2 American Mineralogist, 2013, 98, 1988-1997 |
| 9016971 | CIF | Al2 Ca0.946 H2 O9 Si2 | I 1 2/a 1 | 9.434; 9.044; 9.695 90; 89.04; 90 | 827.072 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 225 C, Path 2 American Mineralogist, 2013, 98, 1988-1997 |
| 9017090 | CIF | Fe1.946 O3 | I 1 2/a 1 | 7.3951; 5.0117; 5.4417 90; 95.666; 90 | 200.695 | Peterson, K. M.; Heaney, P. J.; Post, J. E.; Eng, P. J. A refined monoclinic structure for a variety of "hydrohematite" Note: T = 38 C American Mineralogist, 2015, 100, 570-579 |
| 9017191 | CIF | F Fe0.036 Mn1.964 O4 P | I 1 2/a 1 | 12.109; 6.5162; 10.117 90; 106.16; 90 | 766.737 | Vignola, P.; Gatta, G. D.; Hatert, F.; Guastoni, A.; Bersani, D. On the crystal-chemistry of a near-endmember triplite, Mn2+2(PO4)F, from the Codera Valley (Sondrio Province, Central Alps, Italy) The Canadian Mineralogist, 2014, 52, 235-245 |
| 9017497 | CIF | C2 Cl3 Cu N | I 1 2/a 1 | 12.09; 8.63; 14.49 90; 97.5; 90 | 1498.91 | Willett, R. D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics, 1966, 44, 39-42 |
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