Crystallography Open Database
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Searching space group like 'I -1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1001402 | CIF | Ba La Ni O6 Ru | I -1 | 5.5964; 5.5879; 7.9319 89.803; 90.1; 90.09 | 248 | Battle, P D; Gibb, T C; Jones, C W; Studer, F Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~ Journal of Solid State Chemistry, 1989, 78, 281-293 |
| 1008195 | CIF | O11 Ti6 | I -1 | 5.552; 7.126; 32.233 66.94; 57.08; 108.51 | 716 | le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry, 1982, 44, 273-281 |
| 1008196 | CIF | O13 Ti7 | I -1 | 5.537; 7.132; 38.151 66.7; 57.12; 108.5 | 841.4 | le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry, 1982, 44, 273-281 |
| 1008197 | CIF | O15 Ti8 | I -1 | 5.526; 7.133; 44.059 66.54; 57.18; 108.51 | 966.9 | le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry, 1982, 44, 273-281 |
| 1008198 | CIF | O17 Ti9 | I -1 | 5.524; 7.142; 50.03 66.41; 57.2; 108.53 | 1094.7 | le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry, 1982, 44, 273-281 |
| 1510959 | CIF | B3.7 Ba3.68 Ca0.66 F Gd0.34 K0.12 O28 Pb0.2 Si8.3 Y | I -1 | 11.181; 10.85; 10.252 90.64; 90.05; 89.97 | 1243.63 | Sokolova, E.V.; Pautov, L.A.; Ferraris, G.; Ivaldi, G.; Khvorov, P.V. Crystal structure of kapitsaite-(Y), a new borosilicate isotypic with hyalotekite - Crystal chemistry of the related isomorphous series Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 2000, 2000, 74-84 |
| 1511020 | CIF | B Cd Li O3 | I -1 | 6.118; 8.486; 5.257 91.46; 89.64; 104.85 | 263.728 | Sokolova, E.V.; Belov, N.V.; Boronikhin, V.A.; Simonov, M.A. The crystal structure of triclinic Li Cd B O3 Doklady Akademii Nauk SSSR, 1979, 246, 1126-1129 |
| 1528489 | CIF | Li Na0.54 O6 Ru3 | I -1 | 9.3775; 16.2522; 5.56143 90.3955; 89.869; 90.034 | 847.567 | Foo, M.L.; Zandbergen, H.W.; Huang, Q.; He, T.; Lawes, G.; Cava, R.J.; Siegrist, T.; Ramirez, A.P. Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K) Journal of Solid State Chemistry, 2006, 179, 941-948 |
| 1528490 | CIF | Li Na0.5 O6 Ru3 | I -1 | 9.3665; 19.2324; 5.5501 90.436; 89.869; 90.025 | 999.765 | Foo, M.L.; He, T.; Zandbergen, H.W.; Ramirez, A.P.; Huang, Q.; Lawes, G.; Siegrist, T.; Cava, R.J. Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K) Journal of Solid State Chemistry, 2006, 179, 941-948 |
| 1534851 | CIF | Ba2 La O6 Ru | I -1 | 6.0299; 6.0587; 8.5371 89.86; 90.33; 90.03 | 311.883 | Battle, P.D.; Goodenough, J.B.; Price, R. The crystal structures and magnetic properties of Ba2 La Ru O6 and Ca2 La Ru O6 Journal of Solid State Chemistry, 1983, 46, 234-244 |
| 1536770 | CIF | Fe H6 N O8 P2 | I -1 | 9.838; 7.185; 14.159 93.46; 85.58; 89.47 | 995.951 | Yakubovich, O.V. Crystal structure of (N H4) Fe (H P O4)2 Kristallografiya, 1993, 38, 43-48 |
| 1538495 | CIF | Cl4 F Nb | I -1 | 12.01; 13.36; 8.13 95; 92.7; 93.2 | 1295.72 | Preiss, H. Die Kristallstruktur von Nb Cl4 F Zeitschrift fuer Anorganische und Allgemeine Chemie, 1968, 362, 13-18 |
| 1556970 | CIF | As0.5 Fe H0.5 O4.5 S0.5 | I -1 | 5.1639; 5.1863; 12.9457 89.209; 89.675; 87.892 | 346.433 | Paktunc, D.; Majzlan, J.; Palatinus, L.; Dutrizac, J.; Klementova, M.; Poirier, G. Characterization of ferric arsenate-sulfate compounds: Implications for arsenic control in refractory gold processing residues American Mineralogist, 2013, 98, 554-565 |
| 1559086 | CIF | C11 H12 Cl2 | I -1 | 12.268; 6.774; 12.408 90.7; 97.31; 89.66 | 1022.7 | Søtofte, Inger; Crossland, Ingolf The Crystal Structures of 2-Phenyl-3,3-dimethyl-1,1-dichlorocyclopropane (I), 2-p-Chlorophenyl-3,3-dimethyl-1,1-dichlorocyclopropane (II) and 2-p-Chlorophenyl-3,3-dimethyl-1,1-dimethoxycyclopropane (III) Acta Chemica Scandinavica, 1992, 46, 131-137 |
| 1570099 | CIF | C14 H11 F5 | I -1 | 10.2296; 8.7819; 14.6776 106.811; 80.111; 97.168 | 1239.51 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 2019269 | CIF Paper | C6 H9 Cl N2 O2 | I -1 | 13.6018; 6.6783; 17.0168 89.683; 92.077; 99.652 | 1522.87 | Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D. Enantiotropically related polymorphs of gaboxadol hydrochloride Acta Crystallographica Section C, 2013, 69, 1234-1237 |
| 2103956 | CIF Paper | Al3 F19 Pb5 | I -1 | 14.2624; 14.2808; 7.234 90.001; 90.509; 90.001 | 1473.35 | Abrahams, S. C.; Ravez, J.; Ritter, H.; Ihringer, J. Structure‒property correlation over five phases and four transitions in Pb~5~Al~3~F~19~ Acta Crystallographica Section B, 2003, 59, 557-574 |
| 2108233 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108234 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108235 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108236 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108237 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108238 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108239 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108240 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108241 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108242 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1662; 12.868; 14.1927 93.4772; 116.143; 90.6664 | 1335.14 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108243 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.172; 12.8675; 14.189 93.4437; 116.073; 90.649 | 1336.58 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108244 | CIF HKL Paper | Al1.6 Ca0.6 Na0.4 O8 Si2.4 | I -1 | 8.1602; 12.8612; 14.1975 93.5348; 116.118; 90.4334 | 1334.33 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 4001302 | CIF | Mg Mo O6 Sr2 | I -1 | 5.566661; 5.566118; 7.919158 89.9907; 89.9723; 89.9962 | 245.373 | Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials, 2007, 19, 1035 |
| 4001304 | CIF | Mg Mo O6 Sr2 | I -1 | 5.56906; 5.57039; 7.92407 89.978; 90.01; 90.015 | 245.819 | Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials, 2007, 19, 1035 |
| 4001305 | CIF | Mg0.5 Mo0.5 O3 Sr | I -1 | 5.569801; 5.569576; 7.923807 89.9878; 89.9992; 90.0048 | 245.808 | Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials, 2007, 19, 1035 |
| 4001307 | CIF | Mg Mo O5.97 Sr2 | I -1 | 5.572983; 5.5775; 7.92131 89.9397; 90.0234; 89.9524 | 246.22 | Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials, 2007, 19, 1035 |
| 4001312 | CIF | Mg0.5 Mo0.5 O3 Sr | I -1 | 5.571514; 5.57772; 7.92034 89.8921; 89.987; 89.923 | 246.135 | Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials, 2007, 19, 1035 |
| 4002376 | CIF | Ba2 Mo Nd O6 | I -1 | 5.9764; 5.9795; 8.5988 89.86; 90.041; 90.013 | 307.285 | Cussen, E.J.; Lynham, D.R.; Rogers, J. Magnetic order arising from structural distortion: structure and magnetic properties of Ba2 Ln Mo O6 Chemistry of Materials (1,1989-), 2006, 18, 2855-2866 |
| 4002463 | CIF | La N O2 Ti | I -1 | 5.6097; 7.8719; 5.5752 90.199; 90.154; 89.988 | 246.193 | Clarke, S.J.; Guinot, B.P.; Michie, C.W.; Rosseinsky, M.J.; Calmont, M.J.C. Oxynitride perovskites: synthesis and structures of La Zr O2 N, Nd Ti O2 N and La Ti O2 N and comparison with oxide perovskites Chemistry of Materials (1,1989-), 2002, 14, 288-294 |
| 7024189 | CIF | D6 Fe N O8 P2 | I -1 | 9.79196; 7.11846; 14.17371 93.4228; 85.5686; 89.3939 | 983.13 | Alfonso, Belén F; Blanco, Jesús A; Fernández-Díaz, Maria Teresa; Trobajo, Camino; Khainakov, Sergei A.; García, José R On the crystal structure and thermal decomposition of ammonium-iron(III) bis(hydrogenphosphate). Dalton transactions (Cambridge, England : 2003), 2010, 39, 1791-1796 |
| 7205350 | CIF | C46 H36 Br4 Cl2 Co S32 | I -1 | 9.406; 9.986; 74.231 88.87; 89.52; 90.14 | 6971 | Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N. Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2) CrystEngComm, 2011, 13, 1467 |
| 7218671 | CIF | C46 H36 Br4 Cl2 Mn S32 | I -1 | 9.401; 9.981; 74.39 91.03; 89.57; 89.71 | 6979 | Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N. Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers CrystEngComm, 2014, 16, 10103 |
| 7241744 | CIF | C46 H37 Cd Cl I4 S32 | I -1 | 9.5531; 9.7052; 76.0688 89.884; 89.917; 89.798 | 7052.6 | Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N. Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling CrystEngComm, 2020, 22, 8054-8062 |
| 7243462 | CIF | C46 H36 Br4 Cl2 S32 Zn | I -1 | 9.478; 9.9772; 74.311 91.03; 90.423; 90.136 | 7025.8 | Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625 |
| 7243463 | CIF | C46 H36 Br4 Cl2 S32 Zn | I -1 | 9.31052; 9.9603; 74.2011 91.3016; 90.4551; 90.3631 | 6878.9 | Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625 |
| 7243464 | CIF | C46 H36 Br4 Cl2 S32 Zn | I -1 | 9.38534; 9.99249; 74.2113 91.1767; 90.4551; 90.1829 | 6958 | Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625 |
| 7243465 | CIF | C46 H36 Br4 Cl2 S32 Zn | I -1 | 9.28488; 9.9294; 74.1606 91.2956; 90.4755; 90.4013 | 6834.9 | Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625 |
| 7243466 | CIF | C46 H36 Br4 Cl2 S32 Zn | I -1 | 9.3549; 9.9886; 74.2441 91.25; 90.478; 90.243 | 6935.6 | Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625 |
| 8103723 | CIF | Al1.3325 Ca3 Fe0.6675 O12 Si3 | I -1 | 11.9197; 11.9225; 11.9199 90.03; 90.12; 89.98 | 1693.96 | Takeuchi, Y.; Umizu, S.; Haga, N.; Sato, G. The derivate structure of silicate garnets in grandite Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 53-99 |
| 8104344 | CIF | Al1.86 Ca0.85 Na0.14 O8 Si2.14 | I -1 | 8.188; 12.882; 14.196 93.37; 116.04; 90.87 | 1341.63 | Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement. Zeitschrift fuer Kristallographie (149,1979-), 1984, 169, 35-49 |
| 9000606 | CIF | Ca0.36 Mn0.64 O3 Si | I -1 | 9.807; 10.68; 7.091 99.58; 99.99; 83.79 | 718.832 | Ohashi, Y.; Finger, L. W. The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Mn-BS, from Mitsuka, Gifu, Japan American Mineralogist, 1978, 63, 274-288 |
| 9000607 | CIF | Ca3.11 Mn2.89 O18 Si6 | I -1 | 9.864; 10.79; 7.139 99.53; 99.71; 83.83 | 736.123 | Ohashi, Y.; Finger, L. W. The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample BS, from Hijikuzu, Iwate, Japan American Mineralogist, 1978, 63, 274-288 |
| 9000608 | CIF | Ca4.88 Mn1.12 O18 Si6 | I -1 | 9.994; 10.946; 7.231 99.3; 100.56; 83.29 | 764.303 | Ohashi, Y.; Finger, L. W. The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Ca-BS, from Hijikuzu, Iwate, Japan American Mineralogist, 1978, 63, 274-288 |
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