Crystallography Open Database

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9012281 CIFAl F6 Na3P 1 21/n 15.4054; 5.5934; 7.7672
90; 89.81; 90
234.837Ross, K. C.; Mitchell, R. H.; Chakhmouradian, A. R.
The crystal structure of synthetic simmonsite, Na2LiAlF6
Journal of Solid State Chemistry, 2003, 172, 95-101
9012282 CIFCa3.906 Nd0.154 O14 Ta3.78 Zr0.16P 31 2 17.356; 7.356; 18.116
90; 90; 120
848.939Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L.
Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 123 K, 3T weberite-type structure
Journal of Solid State Chemistry, 2003, 174, 285-295
9012283 CIFCa7.676 Nd0.324 O28 Ta7.705 Zr0.295C 1 2 112.761; 7.358; 24.565
90; 100.17; 90
2270.3Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L.
Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 295 K, 4M weberite-type structure
Journal of Solid State Chemistry, 2003, 174, 285-295
9012284 CIFAl F6 Na3P 1 21/n 15.3956; 5.5821; 7.7568
90; 90.181; 90
233.624Zhou, Q.; Kennedy, B. J.
High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = room temperature Note: reported and calculated bond lengths disagree
Journal of Solid State Chemistry, 2004, 177, 654-659
9012285 CIFAl F6 Na3F m -3 m7.935; 7.935; 7.935
90; 90; 90
499.621Zhou, Q.; Kennedy, B. J.
High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = 600 C, ordered model
Journal of Solid State Chemistry, 2004, 177, 654-659
9012286 CIFAl F6 Na3F m -3 m7.935; 7.935; 7.935
90; 90; 90
499.621Zhou, Q.; Kennedy, B. J.
High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = 600 C, disordered model
Journal of Solid State Chemistry, 2004, 177, 654-659
9012686 CIFO7.5 Sc0.06 Ta2.94I 1 2 13.81; 3.81; 35.764
90; 90; 90
519.154Stephenson, N. C.; Roth, R. S.
The crystal structure of the high temperature form of Ta2O2
Journal of Solid State Chemistry, 1971, 3, 145-153
9012691 CIFO2 SiP 42/m n m4.1773; 4.1773; 2.6655
90; 90; 90
46.513Hill, R. J.; Newton, M. D.; Gibbs, G. V.
A crystal chemical study of stishovite
Journal of Solid State Chemistry, 1983, 47, 185-200
9012692 CIFFe2 O3P 43 21 28.3396; 8.3396; 8.322
90; 90; 90
578.786Greaves, C.
A powder neutron diffraction investigation of vacancy ordering and covalence in gamma-Fe2O3 Locality: synthetic Sample: T = 4 K
Journal of Solid State Chemistry, 1983, 49, 325-333
9012693 CIFLi0.02 Na0.98 Nb O3P c 21 b5.494; 15.461; 5.551
90; 90; 90
471.517von der Muhll, R.; Sadel, A.; Hagenmuller, P.
Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98Nb O3 Note: x(O3) corrected to match reported bond lengths
Journal of Solid State Chemistry, 1984, 51, 176-182
9012694 CIFO PbC m m a5.6124; 5.6089; 4.9924
90; 90; 90
157.158Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 2 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012695 CIFO PbC m m a5.6112; 5.6091; 4.9935
90; 90; 90
157.164Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 30 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012696 CIFO PbC m m a5.6118; 5.6114; 4.9988
90; 90; 90
157.412Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 77 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012697 CIFO PbC m m a5.6253; 5.6253; 5.0259
90; 90; 90
159.04Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 300 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012698 CIFO PbP 4/n m m :13.9645; 3.9645; 4.9956
90; 90; 90
78.517Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction T = 77.6 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012699 CIFO PbP 4/n m m :13.9634; 3.9634; 5.0088
90; 90; 90
78.681Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction T = 182 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012700 CIFO PbP 4/n m m :13.9744; 3.9744; 5.022
90; 90; 90
79.327Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction; in the cryostat T = 295 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012701 CIFO PbP 4/n m m :13.9744; 3.9744; 5.0219
90; 90; 90
79.325Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction; in the four-circle diffractometer T = 295 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012702 CIFO PbP 4/n m m :13.9854; 3.9854; 5.0435
90; 90; 90
80.108Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction T = 473 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012703 CIFO PbP 4/n m m :13.9998; 3.9998; 5.0654
90; 90; 90
81.038Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction T = 673 K Locality: synthetic
Journal of Solid State Chemistry, 1985, 57, 343-350
9012704 CIFO PbP 4/n m m :14.0039; 4.0039; 5.0712
90; 90; 90
81.297Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W.
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Locality: synthetic Method: X-ray Diffraction T = 723 K
Journal of Solid State Chemistry, 1985, 57, 343-350
9013442 CIFO4 Pb3P b a m8.8189; 8.8068; 6.5636
90; 90; 90
509.77Gavarri, J. R.; Weigel, D.; Hewat, A. W.
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 240 K
Journal of Solid State Chemistry, 1978, 23, 327-339
9013443 CIFO4 Pb3P b a m8.8179; 8.8032; 6.562
90; 90; 90
509.38Gavarri, J. R.; Weigel, D.; Hewat, A. W.
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 200 K
Journal of Solid State Chemistry, 1978, 23, 327-339
9013444 CIFO4 Pb3P b a m8.8193; 8.8008; 6.5618
90; 90; 90
509.307Gavarri, J. R.; Weigel, D.; Hewat, A. W.
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 180 K
Journal of Solid State Chemistry, 1978, 23, 327-339
9013445 CIFO4 Pb3P b a m8.9496; 8.6638; 6.5616
90; 90; 90
508.77Gavarri, J. R.; Weigel, D.; Hewat, A. W.
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 140 K
Journal of Solid State Chemistry, 1978, 23, 327-339
9013446 CIFO4 Pb3P b a m9.1305; 8.4629; 6.5677
90; 90; 90
507.49Gavarri, J. R.; Weigel, D.; Hewat, A. W.
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et mecanisme de la transition Locality: synthetic Sample: T = 5 K
Journal of Solid State Chemistry, 1978, 23, 327-339
9013447 CIFCa2.24 F O12 P3 Pb2.76P 63/m9.759; 9.759; 7.291
90; 90; 120
601.351Miyake, M.; Ishigaki, K.; Suzuki, T.
Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample FAp Locality: synthetic Note: apatite group
Journal of Solid State Chemistry, 1986, 61, 230-235
9013448 CIFCa1.04 Cl O12 P3 Pb3.96P 63/m9.99; 9.99; 7.276
90; 90; 120
628.86Miyake, M.; Ishigaki, K.; Suzuki, T.
Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample ClAp Locality: synthetic Note: apatite group
Journal of Solid State Chemistry, 1986, 61, 230-235
9013449 CIFCa1.31 H O13 P3 Pb3.69P 63/m9.88; 9.88; 7.417
90; 90; 120
627.008Miyake, M.; Ishigaki, K.; Suzuki, T.
Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample OHAp Locality: synthetic Note: apatite group
Journal of Solid State Chemistry, 1986, 61, 230-235
9013450 CIFCs Fe2 S3C m c m9.5193; 11.5826; 5.482
90; 90; 90
604.436Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013451 CIFFe2 Rb S3C m c m9.2202; 11.2429; 5.445
90; 90; 90
564.438Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013452 CIFFe2 Rb S3C m c m9.2202; 11.2429; 5.445
90; 90; 90
564.438Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Note: Rietveld refinement using FULLPROF Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013453 CIFFe2 K S3C m c m9.0415; 11.0298; 5.41771
90; 90; 90
540.286Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013454 CIFCs0.5 Fe2 Rb0.5 S3C m c m9.4144; 11.4632; 5.4691
90; 90; 90
590.221Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013455 CIFFe2 K0.5 Rb0.5 S3C m c m9.1554; 11.1612; 5.4382
90; 90; 90
555.704Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013456 CIFCs0.5 Fe2 K0.5 S3C m c m9.3268; 11.3693; 5.4592
90; 90; 90
578.889Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013458 CIFGa5 Gd3 O12I a -3 d12.3829; 12.3829; 12.3829
90; 90; 90
1898.75Sawada, H.
Electron density of garnets Z3Ga5O12; Z=Nd, Sm, Gd, Tb
Journal of Solid State Chemistry, 1997, 132, 300-307
9013959 CIFCa Fe3 O5C m c m3.021; 10.009; 12.643
90; 90; 90
382.289Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.
Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
Journal of Solid State Chemistry, 1980, 35, 112-119
9013960 CIFCa Fe4 O6C m c m3.05; 9.986; 15.321
90; 90; 90
466.636Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.
Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
Journal of Solid State Chemistry, 1980, 35, 112-119
9013961 CIFCa Fe5 O7C m c m3.052; 10.041; 17.966
90; 90; 90
550.57Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.
Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
Journal of Solid State Chemistry, 1980, 35, 112-119
9013962 CIFCu3 H4 O8 SP n m a8.289; 6.079; 12.057
90; 90; 90
607.538Vilminot, S.; Richard-Plouet M; Andre, G.; Swierczynski, D.; Guillot, M.; Bouree-Vigneron F; Drillon, M.
Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2,
Journal of Solid State Chemistry, 2003, 170, 255-264
9013963 CIFAl1.05 Ca3 Fe0.93 O12 Si0.93 Zr2I a -3 d12.5122; 12.5122; 12.5122
90; 90; 90
1958.85Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Journal of Solid State Chemistry, 2007, 180, 785-791
9013964 CIFAl0.48 Ca3 Fe1.44 O12 Si0.81 Zr2I a -3 d12.5844; 12.5844; 12.5844
90; 90; 90
1992.95Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Journal of Solid State Chemistry, 2007, 180, 785-791
9013965 CIFCa3 Fe1.95 O12 Si0.93 Zr2I a -3 d12.6164; 12.6164; 12.6164
90; 90; 90
2008.2Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Journal of Solid State Chemistry, 2007, 180, 785-791
9013966 CIFAl1.23 Ca3 Fe0.99 Hf2 O12 Si0.99I a -3 d12.5145; 12.5145; 12.5145
90; 90; 90
1959.93Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Journal of Solid State Chemistry, 2007, 180, 785-791
9013967 CIFCa3 Fe2.16 Hf2 O12 Si0.99I a -3 d12.5898; 12.5898; 12.5898
90; 90; 90
1995.52Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Journal of Solid State Chemistry, 2007, 180, 785-791
9014041 CIFNi7 P7C m c 2123.801; 5.9238; 4.8479
90; 90; 90
683.517Dera, P.; Lazarz, J. D.; Lavina, B.
Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa
Journal of Solid State Chemistry, 2011, 184, 1997-2003
9014270 CIFFe9.966 Na1.608 O17.97 Zn0.99R -3 m :H5.9401; 5.9401; 35.731
90; 90; 120
1091.85Nicolopoulos, S.; Vincent, H.; Anne, M.; Joubert, J.
Variation in crystal structure, ionic conductivity and magnetic properties with the water uptake of a new hydrated sodium beta ferrite _cod_database_code 1008479
Journal of Solid State Chemistry, 1990, 87, 298-307
9014520 CIFCu2 SeF m -3 m5.694; 5.694; 5.694
90; 90; 90
184.609Yamamoto, K.; Kashida, S.
X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (low), T = 300 K
Journal of Solid State Chemistry, 1991, 93, 202-211
9014543 CIFAl7 Ca6 Cl O16I -4 3 d12.0095; 12.0095; 12.0095
90; 90; 90
1732.11Iwata, T.; Haniuda, M.; Fukuda, K.
Crystal structure of Ca12Al14O32Cl2 and luminescence properties of Ca12Al14O32Cl2:Eu2+
Journal of Solid State Chemistry, 2008, 181, 51-55

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