Crystallography Open Database

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4004095 CIFHo2 O7 Si2P n m a13.6575; 8.1544; 5.0191
90; 90; 90		558.97Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004096 CIFEu2 O7 Si2P -15.3877; 8.5212; 12.8536
90.422; 91.616; 92.247		589.4Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004097 CIFO7 Si2 Sm2P -15.381; 8.537; 12.855
90.173; 90.746; 91.451		590.29Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004098 CIFLa2 O7 Si2P 1 21/n 15.4134; 8.799; 13.1858
90; 90.515; 90		628.05Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
5000177 CIFC6 H5 N O3P 1 21/c 16.1664; 8.8366; 11.5435
90; 103.39; 90		611.91Kulkarni, G. U.; Kumaradhas, P.; Rao, C. N. R.
Charge Density Study of the Polymorphs of p-Nitrophenol
Chemistry of Materials, 1998, 10, 3498-3505
6000035 CIFCs2 O15 Si6 TiC 1 c 112.998; 7.5014; 15.156
90; 105.8; 90		1420.8Nyman, M.; Bonhomme, F.; Teter, D. M.; Maxwell, R. S.; Gu, B. X.; Wang, L. M.; Ewing, R. C.; Nenoff, T. M.
Integrated experimental and computational methods for structure determination and characterization of a new, highly stable cesium silicotitanate phase, Cs~2~TiSi~6~O~15~ (SNL-A)
Chemistry of Materials, 2000, 12, 3449-3458
6000060 CIFC8 H6 Co2 O6C 1 2/m 119.943; 3.2895; 6.2896
90; 95.746; 90		410.54Huang, Z. L.; Drillon, M.; Masciocchi, N.; Sironi, A.; Zhao, J. T.; Rabu, P.; Panissod, P.
Ab-initio xrpd crystal structure and giant hysteretic effect (H-c=5.9 T) of a new hybrid terephthalate-based cobalt(II) magnet
Chemistry of Materials, 2000, 12, 2805-2812
6000074 CIFC8 H12 O22 Pb2 ZrC 1 2/c 19.537; 29.622; 8.9398
90; 121.19; 90		2160.5Boudaren, C.; Auffrédic, J. P.; Louër, M.; Louër, D.
Synthesis, structure determination from powder diffraction data, and thermal behavior of lead zirconium oaxalate hydrate Pb2Zr(C2O4)(4)center dot nH(2)O (3 < n < 9)
Chemistry of Materials, 2000, 12, 2324-2333
6000102 CIFH25 Na O51 Si12 Sr4 Ti5C m m m23.1962; 7.2381; 6.9652
90; 90; 90		1169.43Braunbarth, C.; Hillhouse, H. W.; Tsapatsis, M.; Burton, A.; Lobo, R. F.; Jacubinas, R. M.; Kuznicki, S. M.
Structure of strontium ion-exchanged ETS-4 microporous molecular sieves
Chemistry of Materials, 2000, 12, 1857-1865
6000112 CIFGa10 H38 O83 Si22 Sr5P n m a8.6826; 13.8828; 16.2484
90; 90; 90		1958.56Lee, Y. J.; Kim, S. J.; Schoonen, M. A. A.; Parise, J. B.
Structural and Sr2+ ion exchange studies of gallosilicate TsG-1
Chemistry of Materials, 2000, 12, 1597-1603
6000286 CIFBa5 Cu Ir3 O12P3c&10.1405; 10.1496; 21.6599
90; 90; 90		2229.28Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.
Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39
Chemistry of Materials, 1999, 11, 1551-1558
6000287 CIFBa16 Cu3 Ir10 O39P 3 2 110.1344; 10.1344; 35.0564
90; 90; 120		3118.14Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.
Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39
Chemistry of Materials, 1999, 11, 1551-1558
6000288 CIFC4 H8 K O12 YI 41/a :211.4612; 11.4612; 8.904
90; 90; 90		1169.62Bataille, T.; Auffredic, J. P.; Louer, D.
Ab initio structure determination and dehydration dynamics of YK(C2O4)(2).4H(2)O studied by X-ray powder diffraction
Chemistry of Materials, 1999, 11, 1559-1567
6000318 CIFCa4 Fe Mn2 O9.75I 4/m m m3.7368; 3.7368; 27.086
90; 90; 90		378.23Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.
Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80
Chemistry of Materials, 1999, 11, 674-683
6000319 CIFFe Mn2 O9.8 Sr4I 4/m m m3.8339; 3.8339; 27.8148
90; 90; 90		408.85Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.
Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80
Chemistry of Materials, 1999, 11, 674-683
6000320 CIFCo La2 O10 Ti3I 4/m m m3.8128; 3.8128; 27.568
90; 90; 90		402.6Hyeon, K. A.; Byeon, S. H.
Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)
Chemistry of Materials, 1999, 11, 352-357
6000321 CIFCu La2 O10 Ti3I 4/m m m3.8248; 3.8248; 26.329
90; 90; 90		385.17Hyeon, K. A.; Byeon, S. H.
Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)
Chemistry of Materials, 1999, 11, 352-357
6000322 CIFLa2 O10 Ti3 ZnI 4/m m m3.8127; 3.8127; 27.5129
90; 90; 90		399.95Hyeon, K. A.; Byeon, S. H.
Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)
Chemistry of Materials, 1999, 11, 352-357
6000323 CIFC3 H8 O6 P2 ZnP 1 21/n 118.167; 5.085; 8.658
90; 93.63; 90		798.21Poojary, D. M.; Zhang, B. L.; Clearfield, A.
Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)
Chemistry of Materials, 1999, 11, 421-426
6000324 CIFC6 H18 O14 P4 Zn3C 1 2/c 120.5853; 5.0472; 18.014
90; 97.226; 90		1856.76Poojary, D. M.; Zhang, B. L.; Clearfield, A.
Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)
Chemistry of Materials, 1999, 11, 421-426
6000346 CIFAg2 Bi O6 Ti2I b a m5.4897; 5.5195; 7.1758
90; 90; 90		217.43Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Chemistry of Materials, 1999, 11, 177-183
6000347 CIFAg2 Bi O6 Ti2I 4/m c m5.5166; 5.5166; 7.8134
90; 90; 90		237.79Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Chemistry of Materials, 1999, 11, 177-183
6000348 CIFAg2 Bi O6 Ti2P m -3 m3.9061; 3.9061; 3.9061
90; 90; 90		59.6Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Chemistry of Materials, 1999, 11, 177-183
6000394 CIFB2 Ir5 Sc3P 4/m b m9.526; 9.526; 3.048
90; 90; 90		276.59Nagelschmitz, E. A.; Jung, W.
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Chemistry of Materials, 1998, 10, 3189-3195
6000395 CIFB2 Be Ir5 Sc2P 4/m b m9.27; 9.27; 2.968
90; 90; 90		255.05Nagelschmitz, E. A.; Jung, W.
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Chemistry of Materials, 1998, 10, 3189-3195
6000396 CIFB2 Ir5 Sc2 TiP 4/m b m9.329; 9.329; 3.103
90; 90; 90		270.05Nagelschmitz, E. A.; Jung, W.
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Chemistry of Materials, 1998, 10, 3189-3195
6000397 CIFH5 Ho O10 S2I 41/a m d6.914; 6.914; 17.246
90; 90; 90		824.42Wickleder, M. S.
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Chemistry of Materials, 1998, 10, 3212-3216
6000398 CIFEr H5 O10 S2I 41/a m d6.8967; 6.8967; 17.166
90; 90; 90		816.49Wickleder, M. S.
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Chemistry of Materials, 1998, 10, 3212-3216
6000399 CIFH5 O10 S2 YI 41/a m d6.8875; 6.8875; 17.159
90; 90; 90		813.98Wickleder, M. S.
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Chemistry of Materials, 1998, 10, 3212-3216
6000410 CIFC4 Co N6P n n m5.9985; 7.0711; 7.414
90; 90; 90		314.47Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.
Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)
Chemistry of Materials, 1998, 10, 2552-2560
6000411 CIFC4 N6 NiP n n m5.9736; 7.032; 7.2942
90; 90; 90		306.4Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.
Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)
Chemistry of Materials, 1998, 10, 2552-2560
6000469 CIFC7 H6 K8 N O11 YP -18.229; 9.739; 9.754
60.74; 72.36; 84.67		648.47Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.
Three-dimensional yttrium oxalates possessing large channels
Chemistry of Materials, 2001, 13, 185-191
6000470 CIFC9 H12 N2 O8 YC 1 c 111.552; 17.168; 8.719
90; 130.64; 90		1312.14Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.
Three-dimensional yttrium oxalates possessing large channels
Chemistry of Materials, 2001, 13, 185-191
6000505 CIFC3 H14 F Ga N2 O8 P2P b c m8.642; 19.346; 7.114
90; 90; 90		1189.38Walton, R. I.; Millange, F.; O'hare, D.; Paulet, C.; Loiseau, T.; Ferey, G.
Synthesis, structures, and reactivity of two compounds containing the tancoite-like [Ga(HPO4)(2)F](2-)(infinity) chain
Chemistry of Materials, 2000, 12, 1977-1984
6000516 CIFF Ga H4 N O4 PP n a 2112.9207; 6.44; 10.4147
90; 90; 90		866.6Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.
Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type
Chemistry of Materials, 2000, 12, 1393-1399
6000517 CIFF3 Ga2 H9 N2 O8 P2P n a 2112.4967; 7.7015; 9.8463
90; 90; 90		947.64Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.
Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type
Chemistry of Materials, 2000, 12, 1393-1399
6000610 CIFBi Ca3 O22 Sr8P 1 21/c 111.037; 5.971; 19.703
90; 101.46; 90		1272.58Luhrs, C. C.; Molins, E.; Van, Tendeloo G; Beltran-Porter, D.; Fuertes, A.
Crystal structure of Bi6Sr8-xCa3+xO22 (-0.5 <= x <= 1.7): a mixed valence bismuth oxide related to perovskite
Chemistry of Materials, 1998, 10, 1875-1881
6000662 CIFO10 P2 U2P -18.8212; 9.2173; 5.4772
102.622; 97.748; 102.459		416.53Benard, P.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.
U(UO2)((PO4)2, a new mixed-valence uranium orthophosphate - ab-initio structure determination from powder diffraction data and optical and X-RAY photoelectro spectra
Chemistry of Materials, 1994, 6, 1049-1058
6000663 CIFC16 H48 Ge4 N4 S10P43-n19.549; 19.549; 19.549
90; 90; 90		7470.91Pivan, J. Y.; Achak, O.; Louer, M.; Louer, D.
The novel thiogermanate [(CH3)4N]4GE4S10 with a high cubic cell-volume - ab-initio structure determination from conventional X-ray-powder diffraction
Chemistry of Materials, 1994, 6, 827-830
6000667 CIFO23 P6 Th4P c a m12.8646; 10.4374; 7.0676
90; 90; 90		948.99Benard, P.; Brandel, V.; Dacheux, N.; Jaulmes, S.; Launay, S.; Lindecker, C.; Genet, M.; Louer, D.; Quarton, M.
Th-4(PO4)(4)P2O7, a new thorium phosphate: Synthesis, characterization, and structure determination
Chemistry of Materials, 1996, 8, 181-188
6000683 CIFBi17 O33 V312.27; 12.27; 11.04
90; 90; 90		1662.1Pang, G. S.; Feng, S. H.; Tang, Y. C.; Tan, C. H.; Xu, R. R.
Hydrothermal synthesis, characterization, and ionic conductivity of vanadium-stabilized Bi~17~V~3~O~33~ with fluorite-related superlattice structure
Chemistry of Materials, 1998, 10, 2446-2449
6000735 CIFK O12 P3 U2C 1 2/c 117.4705; 6.7541; 8.0252
90; 102.019; 90		926.2Hawkins, H. T.; Spearing, D. R.; Veirs, D. K.; Danis, J. A.; Smith, D. M.; Tait, C. D.; Runde, W. H.; Spilde, M. N.; Scheetz, B. E.
Synthesis and characterization of uranium(IV)-bearing members of the [NZP] structural family
Chemistry of Materials, 1999, 11, 2851-2857
9012813 CIFAl Ge H4 K0.9 Na0.1 O5.666C 1 2/c 114.42; 9.87; 23.33
90; 105.92; 90		3193.1Celestian, A. J.; Parise, J. B.; Goodell, C.; Tripathi, A.; Hanson, J.
Time-resolved diffraction studies of ion exchange: K(+) and Na(+) exchange into (Al,Ge) gismondine (GIS)Na24Al24Ge24O96*40(H2O) and K8Al8Ge8O32*8(H2O)
Chemistry of Materials, 2004, 16, 2244-2254
9012923 CIFC5 H18 N4 O21 P4 Sc3P 1 21/n 18.603; 15.476; 16.504
90; 96.877; 90		2181.53Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.
Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks
Chemistry of Materials, 2003, 15, 3818-3825
9014369 CIFNa11 O14 Si4 Ti4P 42/m b c10.6772; 10.6772; 11.885
90; 90; 90		1354.92Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.
Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample
Chemistry of Materials, 2010, 22, 4222-4231
9014483 CIFNa Nb O3P b m a5.5625; 15.5495; 5.5138
90; 90; 90		476.911Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00
Chemistry of Materials, 2003, 15, 1872-1878
9014531 CIFNa Nb0.9 O2.95 Ti0.1P b m a5.5428; 15.5632; 5.5094
90; 90; 90		475.261Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1
Chemistry of Materials, 2003, 15, 1872-1878
9014797 CIFCo4 In0.2 Sb12I m -39.05294; 9.05294; 9.05294
90; 90; 90		741.94He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.
Thermoelectric properties of indium-filled skutterudites
Chemistry of Materials, 2006, 18, 759-762
9015148 CIFNa Nb0.85 O2.925 Ti0.15P b m a5.5396; 15.5705; 5.5087
90; 90; 90		475.149Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15
Chemistry of Materials, 2003, 15, 1872-1878
9015824 CIFNa Nb0.8 O2.9 Ti0.2P b m a5.5303; 15.5677; 5.5072
90; 90; 90		474.137Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2
Chemistry of Materials, 2003, 15, 1872-1878
9016099 CIFD4 Na3 O10 Si Ti2P 42/m c m7.8099; 7.8099; 11.956
90; 90; 90		729.251Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.
Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron
Chemistry of Materials, 2010, 22, 4222-4231
9016155 CIFD4 Na O9 Si Ti2P 42/m c m7.88; 7.88; 11.953
90; 90; 90		742.214Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.
Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron
Chemistry of Materials, 2010, 22, 4222-4231
9016224 CIFNa Nb0.95 O2.975 Ti0.05P b m a5.5528; 15.5597; 5.514
90; 90; 90		476.409Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.05
Chemistry of Materials, 2003, 15, 1872-1878
9017400 CIFCa2 O9 S2P 316.93145; 6.93145; 12.73617
90; 90; 120		529.929Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T.
Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4
Chemistry of Materials, 2008, 20, 2124-2132
9017401 CIFCa O4 SP 62 2 26.96895; 6.96865; 6.30044
90; 90; 120		264.983Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T.
Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4
Chemistry of Materials, 2008, 20, 2124-2132

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