Crystallography Open Database

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1001402 CIFBa La Ni O6 RuI -15.5964; 5.5879; 7.9319
89.803; 90.1; 90.09
248Battle, 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 CIFO11 Ti6I -15.552; 7.126; 32.233
66.94; 57.08; 108.51
716le 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 CIFO13 Ti7I -15.537; 7.132; 38.151
66.7; 57.12; 108.5
841.4le 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 CIFO15 Ti8I -15.526; 7.133; 44.059
66.54; 57.18; 108.51
966.9le 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 CIFO17 Ti9I -15.524; 7.142; 50.03
66.41; 57.2; 108.53
1094.7le 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 CIFB3.7 Ba3.68 Ca0.66 F Gd0.34 K0.12 O28 Pb0.2 Si8.3 YI -111.181; 10.85; 10.252
90.64; 90.05; 89.97
1243.63Sokolova, 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 CIFB Cd Li O3I -16.118; 8.486; 5.257
91.46; 89.64; 104.85
263.728Sokolova, 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 CIFLi Na0.54 O6 Ru3I -19.3775; 16.2522; 5.56143
90.3955; 89.869; 90.034
847.567Foo, 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 CIFLi Na0.5 O6 Ru3I -19.3665; 19.2324; 5.5501
90.436; 89.869; 90.025
999.765Foo, 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 CIFBa2 La O6 RuI -16.0299; 6.0587; 8.5371
89.86; 90.33; 90.03
311.883Battle, 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 CIFFe H6 N O8 P2I -19.838; 7.185; 14.159
93.46; 85.58; 89.47
995.951Yakubovich, O.V.
Crystal structure of (N H4) Fe (H P O4)2
Kristallografiya, 1993, 38, 43-48
1538495 CIFCl4 F NbI -112.01; 13.36; 8.13
95; 92.7; 93.2
1295.72Preiss, H.
Die Kristallstruktur von Nb Cl4 F
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1968, 362, 13-18
1556970 CIFAs0.5 Fe H0.5 O4.5 S0.5I -15.1639; 5.1863; 12.9457
89.209; 89.675; 87.892
346.433Paktunc, 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 CIFC11 H12 Cl2I -112.268; 6.774; 12.408
90.7; 97.31; 89.66
1022.7Søtofte, 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 CIFC14 H11 F5I -110.2296; 8.7819; 14.6776
106.811; 80.111; 97.168
1239.51Bear, 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 O2I -113.6018; 6.6783; 17.0168
89.683; 92.077; 99.652
1522.87Lopez 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 Pb5I -114.2624; 14.2808; 7.234
90.001; 90.509; 90.001
1473.35Abrahams, 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 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754
1333.97Jin, 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 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754
1333.97Jin, 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 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297
1334.41Jin, 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 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297
1334.41Jin, 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 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73
1334.35Jin, 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 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73
1334.35Jin, 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 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754
1333.97Jin, 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 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297
1334.41Jin, 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 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73
1334.35Jin, 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 Si2.25I -18.1662; 12.868; 14.1927
93.4772; 116.143; 90.6664
1335.14Jin, 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 Si2.25I -18.172; 12.8675; 14.189
93.4437; 116.073; 90.649
1336.58Jin, 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 Si2.4I -18.1602; 12.8612; 14.1975
93.5348; 116.118; 90.4334
1334.33Jin, 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 CIFMg Mo O6 Sr2I -15.566661; 5.566118; 7.919158
89.9907; 89.9723; 89.9962
245.373Bernuy-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 CIFMg Mo O6 Sr2I -15.56906; 5.57039; 7.92407
89.978; 90.01; 90.015
245.819Bernuy-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 CIFMg0.5 Mo0.5 O3 SrI -15.569801; 5.569576; 7.923807
89.9878; 89.9992; 90.0048
245.808Bernuy-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 CIFMg Mo O5.97 Sr2I -15.572983; 5.5775; 7.92131
89.9397; 90.0234; 89.9524
246.22Bernuy-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 CIFMg0.5 Mo0.5 O3 SrI -15.571514; 5.57772; 7.92034
89.8921; 89.987; 89.923
246.135Bernuy-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 CIFBa2 Mo Nd O6I -15.9764; 5.9795; 8.5988
89.86; 90.041; 90.013
307.285Cussen, 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 CIFLa N O2 TiI -15.6097; 7.8719; 5.5752
90.199; 90.154; 89.988
246.193Clarke, 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 CIFD6 Fe N O8 P2I -19.79196; 7.11846; 14.17371
93.4228; 85.5686; 89.3939
983.13Alfonso, 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 CIFC46 H36 Br4 Cl2 Co S32I -19.406; 9.986; 74.231
88.87; 89.52; 90.14
6971Shilov, 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 CIFC46 H36 Br4 Cl2 Mn S32I -19.401; 9.981; 74.39
91.03; 89.57; 89.71
6979Zhilyaeva, 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 CIFC46 H37 Cd Cl I4 S32I -19.5531; 9.7052; 76.0688
89.884; 89.917; 89.798
7052.6Shilov, 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 CIFC46 H36 Br4 Cl2 S32 ZnI -19.478; 9.9772; 74.311
91.03; 90.423; 90.136
7025.8Shilov, 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 CIFC46 H36 Br4 Cl2 S32 ZnI -19.31052; 9.9603; 74.2011
91.3016; 90.4551; 90.3631
6878.9Shilov, 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 CIFC46 H36 Br4 Cl2 S32 ZnI -19.38534; 9.99249; 74.2113
91.1767; 90.4551; 90.1829
6958Shilov, 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 CIFC46 H36 Br4 Cl2 S32 ZnI -19.28488; 9.9294; 74.1606
91.2956; 90.4755; 90.4013
6834.9Shilov, 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 CIFC46 H36 Br4 Cl2 S32 ZnI -19.3549; 9.9886; 74.2441
91.25; 90.478; 90.243
6935.6Shilov, 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 CIFAl1.3325 Ca3 Fe0.6675 O12 Si3I -111.9197; 11.9225; 11.9199
90.03; 90.12; 89.98
1693.96Takeuchi, 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 CIFAl1.86 Ca0.85 Na0.14 O8 Si2.14I -18.188; 12.882; 14.196
93.37; 116.04; 90.87
1341.63Chiari, G.; Benna, P.; Bruno, E.
The structure of bytownite (An85). A new refinement.
Zeitschrift fuer Kristallographie (149,1979-), 1984, 169, 35-49
9000606 CIFCa0.36 Mn0.64 O3 SiI -19.807; 10.68; 7.091
99.58; 99.99; 83.79
718.832Ohashi, 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 CIFCa3.11 Mn2.89 O18 Si6I -19.864; 10.79; 7.139
99.53; 99.71; 83.83
736.123Ohashi, 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 CIFCa4.88 Mn1.12 O18 Si6I -19.994; 10.946; 7.231
99.3; 100.56; 83.29
764.303Ohashi, 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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