Crystallography Open Database

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1008002 CIFCr2 O6 UP -3 1 m4.99; 4.99; 4.622
90; 90; 120		99.7Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C
Etude par diffractions X et neutronique d'un monocristal de U Cr~2~ O~6~ obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique
Journal of Solid State Chemistry, 1976, 16, 41-48
1008003 CIFCr2 O6 UP -3 1 m4.99; 4.99; 4.622
90; 90; 120		99.7Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C
Etude par diffractions X et neutronique d'un monocristal de Cr~2~ O~6~ U obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique
Journal of Solid State Chemistry, 1976, 16, 41-48
1008057 CIFBa Ca Fe4 O8P -3 1 m5.407; 5.407; 7.703
90; 90; 120		195Herrmann, D; Bacmann, M
Structure nucleaire de Ba Ca Fe~4~ O~8~
Materials Research Bulletin, 1971, 6, 725-736
1010069 CIFH24 Mg O18 Sb2P -3 1 m16.079; 16.079; 9.841
90; 90; 120		2203.4Beintema, J
On the crystal-structure of magnesium- and nickelantimonate.
Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen, 1936, 39, 241-252
1011275 CIFH24 Ni O18 Sb2P -3 1 m16.019; 16.019; 9.768
90; 90; 120		2170.7Beintema, J
On the crystal-structure of magnesium- and nickelantimonate.
Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen, 1936, 39, 241-252
1509541 CIFAg Se2 TlP -3 1 m9.7; 9.7; 8.25
90; 90; 120		672.246Pinsker, Z.G.; Imamov, R.M.
Electron diffraction study of the compound Ag Tl Se2
Kristallografiya, 1965, 10, 199-204
1509920 CIFAg5 Cu0.47 O6 Pb1.53P -3 1 m5.8306; 5.8306; 6.343
90; 90; 120		186.746Gomez-Romero, P.; Oro-Sole, J.; Tejada-Rosales, E.M.
Synthesis, characterization, and electrical properties of the series of oxides Ag5 Pb(2-x) Cu(x) O6 (0.0 <= x <= 0.5)
Journal of Solid State Chemistry, 2002, 163, 151-157
1509924 CIFAg5 O6 Pb2P -3 1 m5.9405; 5.9405; 6.4349
90; 90; 120		196.661Shimojo, Y.; Abe, H.; Morii, Y.; Yoshii, K.; Uruga, T.; Nakamura, A.; Ishii, Y.; Mizumaki, M.; Kato, K.
Neutron diffraction and x-ray absorption study of Ag5 Pb2 O6
Journal of Solid State Chemistry, 2007, 180, 377-381
1521301 CIFCu1.78 Fe0.46 H12 Mg0.76 O12 TeP -3 1 m5.316; 5.316; 9.719
90; 90; 120		237.86Margison, S.M.; Grice, J.D.; Groat, L.A.
The crystal structure of leisingite, (Cu(2+), Mg, Zn)2 (Mg, Fe) Te(6+) O6 . 6(H2 O)
Canadian Mineralogist, 1997, 35, 759-763
1522264 CIFN0.86 Nb2 O0.14P -3 1 m5.2916; 5.2916; 4.9987
90; 90; 120		121.216Yamada, K.; Sato, N.; Masuda, H.; Fujino, T.
Synthesis and crystal structure of a new niobium oxynitride, Nb2 N0.88 O0.12
Journal of Solid State Chemistry, 2000, 150, 36-42
1525591 CIFD2.67 YbP -3 1 m6.3404; 6.3404; 9.0008
90; 90; 120		313.361Auffermann, G.
Hochdrucksynthese und Kristallstruktur von Yb H2.67
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1615-1618
1525723 CIFC0.2792 Fe3 N1.1168P -3 1 m4.7743; 4.7743; 4.4063
90; 90; 120		86.981Leineweber, A.; Huening, F.; Jacobs, H.; Kockelmann, W.; Lueken, H.
Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)
Journal of Alloys Compd., 2001, 316, 21-38
1525726 CIFC0.279 Fe3 N1.116P -3 1 m4.7644; 4.7644; 4.3906
90; 90; 120		86.312Leineweber, A.; Jacobs, H.; Kockelmann, W.; Huening, F.; Lueken, H.
Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)
Journal of Alloys Compd., 2001, 316, 21-38
1527256 CIFN0.43 TaP -3 1 m5.285; 5.285; 4.919
90; 90; 120		118.986Conroy, L.E.; Norlund Christensen, A.
Preparation and crystal structure of beta-Ta2 N
Journal of Solid State Chemistry, 1977, 20, 205-207
1528581 CIFF6 Li2 ZrP -3 1 m4.98; 4.98; 4.66
90; 90; 120		100.086Hoppe, R.; Daehne, W.
Zur Kristallstrukutr von Li2 Zr F6
Naturwissenschaften, 1960, 47, 397-397
1529839 CIFF6 Li2 NbP -3 1 m4.9634; 4.9634; 4.6172
90; 90; 120		98.507de Bournonville, M.B.; Quarton, M.; Bizot, D.; Chassaing, J.
Structures et proprietes magnetiques de Li2 Nb F6 et Na2 Nb F6
Journal of Solid State Chemistry, 1986, 62, 212-219
1530091 CIFO6 Pb Sb2P -3 1 m5.3006; 5.3006; 5.3792
90; 90; 120		130.888Hill, R.J.
Structure of Pb Sb2 O6 and its relationship to the crystal chemistry of Pb O2 in antimonial lead-acid batteries
Journal of Solid State Chemistry, 1987, 71, 12-18
1530752 CIFCo H12 I2 O6P -3 1 m7.26; 7.26; 4.79
90; 90; 120		218.645Shchukarev, S.A.; Stroganov, E.V.; Andreev, S.N.; Purvinskij, O.F.
Investigation of crystal structure of crystallohydrates of transition metal salts. structure Co I26 (H2 O)
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1963, 4, 63-66
1531414 CIFC0.86 Cr1.56 Re0.44P -3 1 m4.9281; 4.9281; 4.4774
90; 90; 120		94.171Grytsiv, A.V.; Rogl, P.; Andre, G.; Bouree, F.; Velikanova, T.
Carbon - vacancy ordering in subcarbide (Cr0.7 Re0.3)2 C0.9; a combined X-ray and neutron diffraction study
Journal of Alloys Compd., 2003, 350, L1-L3
1531882 CIFC D2.55 Y2P -3 1 m6.3124; 6.3124; 5.932
90; 90; 120		204.701Maehlen, J.P.; Hauback, B.C.; Yartys', V.A.
Structural studies of deuterides of yttrium carbide
Journal of Alloys Compd., 2003, 351, 151-157
1532173 CIFLi3.333 Mg0.333 P2 S6P -3 1 m6.0748; 6.0748; 6.5954
90; 90; 120		210.783Takada, K.; Kondo, S.; Inada, T.; Kajiyama, A.; Sasaki, H.; Kanda, M.; Watanabe, M.
Lithium ion conduction in lithium magnesium thio-phosphate
Solid State Ionics, 2002, 147, 23-27
1532176 CIFLi2.667 Mg0.667 P2 S6P -3 1 m6.0831; 6.0831; 6.5863
90; 90; 120		211.068Takada, K.; Watanabe, M.; Inada, T.; Kajiyama, A.; Kanda, M.; Sasaki, H.; Kondo, S.
Lithium ion conduction in lithium magnesium thio-phosphate
Solid State Ionics, 2002, 147, 23-27
1532605 CIFAg4.64 O5.87 Pb2P -3 1 m5.9415; 5.9415; 6.4289
90; 90; 120		196.544Iwasaki, K.; Yamane, H.; Kubota, S.; Takahashi, J.; Yamashita, T.; Kajitani, T.; Nakajima, K.; Miyazaki, Y.; Shimada, M.
Synthesis and characterization of Ag5-x Pb2 O6-d
Physica C (Amsterdam), 2002, 382, 263-268
1533510 CIFFe Li2 P2 S6P -3 1 m6.0145; 6.0145; 6.56
90; 90; 120		205.51Takada, K.; Michiue, Y.; Inada, T.; Kajiyama, A.; Tabuchi, M.; Kouguchi, M.; Watanabe, M.; Kondo, S.
Lithium iron thio-phosphate: a new 3 V sulfide cathode
Solid State Ionics, 2003, 159, 257-263
1535603 CIFC6 H24 N14 Re6 Te8 Zn2P -3 1 m10.3776; 10.3776; 10.4322
90; 90; 120		972.972Brylev, K.A.; Naumov, N.G.; Sekar, P.; Fedorov, V.E.; Ibers, J.A.
Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)
Inorganica Chimica Acta, 2004, 357, 728-732
1536777 CIFAl H3 O3P -3 1 m5.047; 5.047; 4.73
90; 90; 120		104.342Yamaguchi, Goro; Sakamoto, Kenichi
Crystal structure of bayerite
Bulletin of the Chemical Society of Japan, 1958, 31, 140-141
1539792 CIFC W2P -3 1 m5.19; 5.19; 4.724
90; 90; 120		110.198Epicier, T.; Dubois, J.; Esnouf, C.; Convert, P.; Fantozzi, G.
Neutron powder diffraction studies of transition metal hemicarbides M2 C1-x - II. In situ high temperature study on W2 C1-x and Mo2 C1-x
Acta Metallurgica, 1988, 36, 1903-1921
1544371 CIFH2.48 Mg1.24 O6 Si1.76P -3 1 m4.79; 4.79; 4.344
90; 90; 120		86.32Kudoh, Y.; Nagase, T.; Mizohata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.
Structure and crystal chemistry of phase G, a new hydrous magnesium silicate synthesized at 22 GPa and 1050 C
Geophysical Research Letters, 1997, 24, 1051-1054
1544621 CIFCr0.02 K1.93 Mg2.02 O7 Si2P -3 1 m5.0756; 5.0756; 6.5969
90; 90; 120		147.179Matsuzaki, T.; Hagiya, K.; Shatskiy, A.; Katsura, T.; Matsui, M.
Crystal structure of anhydrous phase X, K1.93(Mg2.02Cr0.02)Si2.00O7
Journal of Mineralogical and Petrological Sciences, 2010, 105, 303-308
1544910 CIFBi2 O6 SrP -3 1 m5.5406; 5.5406; 5.34
90; 90; 120		141.97Kumada, N.; Miura, A.; Takei, T.; Yashima, M.
Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4
Journal of Asian Ceramic Societies, 2014, 2, 150-153
1563050 CIFCu1.74 Gd0.75 Te2P -3 1 m7.478; 7.478; 7.015
90; 90; 120		339.73Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.
Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds
Journal of Solid State Chemistry, 2012, 186, 142-148
1564221 CIF
HKL
Paper		Cl12 H12 I2 Nb6 O6P -3 1 m9.3911; 9.3911; 8.6576
90; 90; 120		661.24Schröder, Florian; Köckerling, Martin
Hexaaquadodeca-μ2-chlorido-octahedro-hexaniobium diiodide
IUCrData, 2021, 6
1570620 CIFC60.33 H36.33 O64.66 Zr12P -3 1 m26.659; 26.659; 10.103
90; 90; 120		6218.3Shiraishi, Kyoko; Otsubo, Kazuya; Kato, Kenichi; Sadakiyo, Masaaki
A novel threefold interpenetrated zirconium metal-organic framework exhibiting separation ability for strong acids.
Chemical science, 2024, 15, 1441-1448
2009656 CIF
Paper		Ca O6 Sb2P -3 1 m5.2405; 5.2405; 5.0221
90; 90; 120		119.443DeBoer, B.G.; Young, R.A.; Sakthivel, A.
X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates
Acta Crystallographica Section C, 1994, 50, 476-482
2009657 CIF
Paper		O6 Sb2 SrP -3 1 m5.2724; 5.2724; 5.3659
90; 90; 120		129.178DeBoer, B.G.; Young, R.A.; Sakthivel, A.
X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates
Acta Crystallographica Section C, 1994, 50, 476-482
2009658 CIF
Paper		Ba O6 Sb2P -3 1 m5.3036; 5.3036; 5.7602
90; 90; 120		140.317DeBoer, B.G.; Young, R.A.; Sakthivel, A.
X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates
Acta Crystallographica Section C, 1994, 50, 476-482
2020338 CIFC6 Ag3 K2 N6 NaP -3 1 m7.0509; 7.0509; 8.5766
90; 90; 120		369.262Zabel, M.; Kuehnel, S.; Range, K.J.
Dipotassium sodium tris(dicyanoargentate(I))
Acta Crystallographica C (39,1983-), 1989, 45, 1619-1621
2105398 CIFAu7 I P10P -3 1 m6.18; 6.18; 11.122
90; 90; 120		367.867Jeitschko, W.; Moeller, M.H.
The crystal structures of Au P3 and Au7 P10 I, polyphosphides with weak Au-Au interactions
Acta Crystallographica B (24,1968-38,1982), 1979, 35, 573-579
2106518 CIFBa Fe4 O8 SrP -3 1 m5.45; 5.45; 8.101
90; 90; 120		208.383Herman-Ronzaud, D.; Bachmann, M.
La structure cristalline de Ba Sr Fe4 O8
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 665-668
2106662 CIFBa Fe4 O8 SrP -3 1 m5.446; 5.446; 8.082
90; 90; 120		207.589Cadee, M.C.
The crystal structure of hexagonal Ba Sr Fe4 O8
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2012-2015
2106851 CIFF6 Li2 ZrP -3 1 m4.9733; 4.9733; 4.658
90; 90; 120		99.774Brunton, G.
Li2 Zr F6
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2294-2296
2106875 CIFBa Fe4 O8 SrP -3 1 m5.4123; 5.4123; 8.0675
90; 90; 120		204.66Abbas, Y.; Mostafa, F.; Fayek, M.
Antiferromagnetic Structure of Barium Strontium Tetraferrate(III), Ba Sr Fe4 O8
Acta Crystallographica B (39,1983-), 1983, 39, 1-4
2107169 CIFNa35 S6 Sn2P -3 1 m6.64; 6.64; 39.75
90; 90; 120		1517.76Mark, W.; Lindqvist, O.; Jumas, J.C.; Philippot, E.
The OD structure of Na2 Sn S3. Determination and refinement of an MDO structure
Acta Crystallographica B (24,1968-38,1982), 1974, 30, 2620-2628
2107397 CIFC6 H5.5 Fe N6 OP -3 1 m6.545; 6.545; 11.69
90; 90; 120		433.675Haser, R.; Pierrot, M.
Etude structurale de la serie des hexacyanoferrates (II,III) d'hydrogene: H3+x (Fe(II)x Fe1-X(III) (C N)6) (H2 O)y. La phase hexagonale 2H: H3.5 (Fe(II)0.5 Fe(III)0.5 (C N)6) H2 O:L'ion hydronium (H...
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 2538-2542
2107422 CIFC6 H3 Fe N6P -3 1 m6.513; 6.513; 5.78
90; 90; 120		212.335Haser, R.; Pierrot, M.; de Broin, C.E.
Etude structurale de la serie des hexacyanoferrates(II,III) d'hydrogene: H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. I. Struct. cristall. des phases hexagonales H, H3 Fe(III) (C N)6 et H3 Co(III) (C N)6, par diffr.
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 2530-2537
2107423 CIFC6 H3 Co N6P -3 1 m6.432; 6.432; 5.701
90; 90; 120		204.255Haser, R.; Pierrot, M.; de Broin, C.E.
Etude structurale de la serie des hexacyanoferrates(II,III) d'hydrogene: H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. I. Struct. cristall. des phases hexagonales H, H3 Fe(III) (C N)6 et H3 Co(III) (C N)6, par diffr.
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 2530-2537
2200091 CIFAs2 Cd O6P -3 1 m4.8269; 4.8269; 4.866
90; 90; 120		98.18Matthias Weil
Cadmium(II) metaarsenate(V), CdAs~2~O~6~
Acta Crystallographica, Section E, 2001, 57, i22-i23
4004050 CIFC14 H24 Cl2 Fe2 N2 O4P -3 1 m13.5717; 13.5717; 9.9759
90; 90; 120		1591.3Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David
Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order
Chemistry of Materials, 2021, 33, 8712-8721
4124085 CIFC6 Ag3 Fe N6P -3 1 m6.7172; 6.7172; 7.5196
90; 90; 120		293.834Goodwin, A.L.; Keen, D.A.; Dove, M.T.; Tucker, M.G.; Peters, L.; Evans, J.S.O.
Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues
Journal of the American Chemical Society, 2008, 130, 9660-9661
4124086 CIFC6 Co D3 N6P -3 1 m6.41294; 6.41294; 5.71973
90; 90; 120		203.714Goodwin, A.L.; Dove, M.T.; Tucker, M.G.; Keen, D.A.; Evans, J.S.O.; Peters, L.
Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues
Journal of the American Chemical Society, 2008, 130, 9660-9661

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