Crystallography Open Database

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2103397 CIF
Paper
C28 H60 Ga4 S4I -4 3 m12.209; 12.209; 12.209
90; 90; 90
1819.87Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103398 CIF
Paper
C28 H60 Ga4 Se4I -4 3 m12.346; 12.346; 12.346
90; 90; 90
1881.82Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103399 CIF
Paper
C16 H20 Cu F6 O6R -3 :H24.469; 24.469; 10.581
90; 90; 120
5486.43Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103400 CIF
Paper
C12 H36 Bi3 Cl3 N6 O12R 3 28.114; 8.114; 35.96
90; 90; 120
2050.31Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103401 CIF
Paper
C18 H74 Cl12 Cr3 Fe N18 OR 3 215.445; 15.445; 21.06
90; 90; 120
4350.76Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103402 CIF
Paper
C18 H74 Cl12 Co3 Fe N18 OR 3 215.346; 15.346; 20.88
90; 90; 120
4258.45Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103403 CIF
Paper
C68 H56 Ag Cl N4 O4 P4R -3 :H14.138; 14.138; 51.536
90; 90; 120
8921.08Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103404 CIF
Paper
C27 H33 N3 O13 Ru3R 3 217.436; 17.436; 10.907
90; 90; 120
2871.64Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103405 CIF
Paper
C62 H70 N8 O6R -3 :R28.042; 28.042; 28.042
118.64; 118.64; 118.64
6636.45Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103406 CIF
Paper
C26 H56 Au B Cl6 F4 P2R -3 m11.308; 11.308; 52.56
90; 90; 120
5820.46Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103407 CIF
Paper
?P 21 21 2112.28593; 8.53351; 8.49385
90; 90; 90
890.513Nowell, Harriott; Attfield, J. Paul; Cole, Jason C.
The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base
Acta Crystallographica Section B, 2002, 58, 835-840
2103408 CIF
Paper
C7 H9 N O2 SI 41/a :218.7407; 18.7407; 9.1004
90; 90; 90
3196.2Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher
Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique
Acta Crystallographica Section B, 2002, 58, 823-834
2103409 CIF
Paper
C6 H6 N2 O4 SP 1 21/n 18.8424; 13.4933; 7.0732
90; 100.466; 90
829.89Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher
Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique
Acta Crystallographica Section B, 2002, 58, 823-834
2103410 CIF
Paper
C6 H6 N2 O4 SP 1 21 17.7169; 8.0514; 7.0334
90; 110.274; 90
409.924Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher
Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique
Acta Crystallographica Section B, 2002, 58, 823-834
2103411 CIF
Paper
C12 H16 Mo2 N2 O8C 1 2/m 18.178; 14.347; 7.628
90; 100.31; 90
880.541Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103412 CIF
Paper
C14 H24 Mo2 N2 O8C 1 2/m 18.091; 15.818; 7.864
90; 103.05; 90
980.468Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103413 CIF
Paper
C22 H28 Mo2 N2 O9C 1 2/c 123.2; 8.472; 14.801
90; 118.41; 90
2558.78Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103414 CIF
Paper
C36 H40 Br4 N6 O3 V2C 1 2/c 115.804; 16.73; 16.348
90; 110.21; 90
4056.31Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103415 CIF
Paper
C23 H24 OC m c 2119.531; 11.459; 8.067
90; 90; 90
1805.44Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103416 CIF
Paper
C24 H28 N2 OC m c 2121.838; 9.291; 9.647
90; 90; 90
1957.35Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103417 CIF
Paper
C12 H18 Cr K N2 O9P -19.674; 12.942; 6.994
99.26; 108.92; 87.4
817.529Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103418 CIF
Paper
C48 H48 N4P -19.409; 13.743; 7.519
104.391; 95.457; 93.973
933.127Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103419 CIF
Paper
C36 H20 Mn4 O12 S4C 1 2/c 111.529; 22.081; 16.544
90; 108.28; 90
3999.1Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103420 CIF
Paper
C24 H18 Cl2 Cu N4 O9C 1 2/c 119.177; 8.199; 16.246
90; 100.1; 90
2514.81Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103421 CIF
Paper
C43 H54 N6 Ni O13C 1 2/c 116.854; 15.626; 19.144
90; 114.785; 90
4577.36Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103422 CIF
Paper
C60 H42 N8 Ni O10C 1 2/c 113.6359; 24.875; 15.217
90; 99.604; 90
5089.16Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103423 CIF
Paper
C18 H12 N10 O14P 1 21/a 123.522; 5.459; 8.781
90; 96.66; 90
1119.93Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103424 CIF
Paper
C30 H32 I2 N20P 1 21/a 129.422; 12.304; 5.071
90; 94.06; 90
1831.14Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103425 CIF
Paper
C24 H16 Cd Cs N4 S20P -18.982; 20.803; 5.794
90.51; 102.92; 99.65
1039.07Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe
Some errors from the crystallographic literature, some amplifications and a questionable result
Acta Crystallographica Section B, 2002, 58, 884-892
2103426 CIF
HKL
Paper
C H7 F5 N4 ZrP n m a6.6524; 6.9466; 16.0497
90; 90; 90
741.68Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.
Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons
Acta Crystallographica Section B, 2002, 58, 841-848
2103427 CIF
HKL
Paper
C H7 F5 N4 ZrP n m a6.6404; 6.8981; 15.9872
90; 90; 90
732.31Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.
Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons
Acta Crystallographica Section B, 2002, 58, 841-848
2103428 CIF
HKL
Paper
C H7 F5 N4 ZrP n m a6.6485; 6.934; 16.0344
90; 90; 90
739.2Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.
Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons
Acta Crystallographica Section B, 2002, 58, 841-848
2103429 CIF
HKL
Paper
C9 H16 O3P -16.035; 8.39; 9.389
84.29; 76.37; 77.95
451.2Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna
Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide
Acta Crystallographica Section B, 2002, 58, 855-863
2103430 CIF
HKL
Paper
C9 H17 N O2P -16.76; 7.314; 11.217
79.22; 74.12; 69.45
496.93Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna
Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide
Acta Crystallographica Section B, 2002, 58, 855-863
2103431 CIF
HKL
Paper
C9 H16 O3P 1 21/c 111.082; 7.618; 11.579
90; 105.67; 90
941.2Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna
Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide
Acta Crystallographica Section B, 2002, 58, 855-863
2103432 CIF
Paper
H8 O16 P4 Tl4P -18.997; 14.866; 6.499
92.03; 89.92; 107.01
830.7Álvarez-Otero, E.; Madariaga, G.; Peral, I.; Folcia, C. L.; Ríos, S.
Structural study of the low-temperature phase of TlH~2~PO~4~ at 180K
Acta Crystallographica Section B, 2002, 58, 750-759
2103433 CIF
Paper
H8 O16 P4 Tl4P -18.997; 14.866; 6.499
92.03; 89.92; 107.01
830.7Álvarez-Otero, E.; Madariaga, G.; Peral, I.; Folcia, C. L.; Ríos, S.
Structural study of the low-temperature phase of TlH~2~PO~4~ at 180K
Acta Crystallographica Section B, 2002, 58, 750-759
2103434 CIF
HKL
Paper
C14 H17 Fe N O4C 1 2/c 130.9616; 7.8147; 12.1521
90; 109.709; 90
2768.02Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103435 CIF
HKL
Paper
C18 H22 Fe N2 O4P -17.4666; 10.7846; 11.3184
104.897; 99.153; 105.238
824.32Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103436 CIF
HKL
Paper
C20 H30 Fe N2 O7P 1 21/c 17.4018; 9.2018; 30.3884
90; 101.063; 90
2031.29Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103437 CIF
HKL
Paper
C22 H18 Fe N2 O4P -16.95; 10.7645; 12.526
97.878; 92.096; 102.998
902.27Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103438 CIF
HKL
Paper
C28 H48 Fe N2 O4P -16.349; 9.6089; 12.1674
98.738; 100.38; 91.229
720.76Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103439 CIF
HKL
Paper
C17 H21 Fe N O4P 1 21/c 15.988; 19.475; 13.434
90; 99.058; 90
1547.09Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103440 CIF
HKL
Paper
C52 H74 Fe2 N2 O9P -110.3588; 11.9612; 22.7731
74.969; 78.066; 64.459
2444.18Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103441 CIF
HKL
Paper
C48 H66 Fe3 N8 O12P -19.736; 13.661; 22.855
97.51; 99.09; 91.11
2973.4Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103442 CIF
HKL
Paper
C28 H32 Fe N2 O6P -112.6828; 13.2119; 14.3107
64.487; 68.446; 72.255
1981.88Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2002, 58, 786-802
2103443 CIF
HKL
Paper
C13 H9 I N2 O2P 1 21/n 18.0664; 10.7191; 14.5692
90; 99.026; 90
1244.12Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103444 CIF
HKL
Paper
C13 H9 I N2 O2P 1 21/c 17.9059; 22.623; 7.6095
90; 113.755; 90
1245.69Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103445 CIF
HKL
Paper
C13 H9 I N2 O2P 1 21/c 110.1401; 13.7454; 9.7829
90; 113.961; 90
1246.03Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103446 CIF
HKL
Paper
C13 H9 I N2 O2P 1 21/c 112.0589; 4.5562; 22.9725
90; 97.397; 90
1251.67Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103447 CIF
HKL
Paper
C13 H9 I N2 O2P 21 21 217.4741; 11.3487; 14.2039
90; 90; 90
1204.79Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103448 CIF
HKL
Paper
C13 H9 I N2 O2P 21 21 217.1179; 12.3905; 13.6983
90; 90; 90
1208.11Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103449 CIF
HKL
Paper
C13 H9 I N2 O2C 1 2/c 152.458; 4.3786; 23.5973
90; 114.185; 90
4944.4Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103450 CIF
HKL
Paper
C13 H9 I N2 O2P -17.2646; 11.8251; 15.0057
103.246; 98.3999; 91.6291
1238.74Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103451 CIF
Paper
C4 H2 Ba2 O9P -18.692; 9.216; 6.146
95.094; 95.492; 64.5
441.71Christensen, Axel Nørlund; Hazell, Rita Grønbæk; Madsen, Ian Charles
Synthesis and characterization of the barium oxalates BaC~2~O~4~·0.5H~2~O, α-BaC~2~O~4~ and β-BaC~2~O~4~
Acta Crystallographica Section B, 2002, 58, 808-814
2103452 CIF
HKL
Paper
C8.7 H17.05 N2.35 O3P 6114.1635; 14.1635; 9.8702
90; 90; 120
1714.74Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103453 CIF
HKL
Paper
C8 H16 N2 O3P 6114.2957; 14.2957; 9.9077
90; 90; 120
1753.53Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103454 CIF
HKL
Paper
C10 H16 N2 O3P 6114.3102; 14.3102; 9.8997
90; 90; 120
1755.7Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103455 CIF
HKL
Paper
C8.51 H15.6 N2 O3.44P 6128.7247; 28.7247; 9.9009
90; 90; 120
7074.8Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103456 CIF
HKL
Paper
Er K2 O12 P3 TiP 21 310.1053; 10.1053; 10.1053
90; 90; 90
1031.92Norberg, Stefan T.
New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework
Acta Crystallographica Section B, 2002, 58, 743-749
2103457 CIF
HKL
Paper
K2 O12 P3 Ti YbP 21 310.0939; 10.0939; 10.0939
90; 90; 90
1028.44Norberg, Stefan T.
New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework
Acta Crystallographica Section B, 2002, 58, 743-749
2103458 CIF
HKL
Paper
K2 O12 P3 Ti YP 21 310.1318; 10.1318; 10.1318
90; 90; 90
1040.06Norberg, Stefan T.
New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework
Acta Crystallographica Section B, 2002, 58, 743-749
2103459 CIF
HKL
Paper
Cr K2 O12 P3 TiP 21 39.8001; 9.8001; 9.8001
90; 90; 90
941.22Norberg, Stefan T.
New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework
Acta Crystallographica Section B, 2002, 58, 743-749
2103460 CIF
HKL
Paper
H8 N2 O8 S2P 1 21/n 16.134; 7.9324; 7.7541
90; 94.966; 90
375.88Schmidt, Thorsten; Schmitt, Heike; Zimmermann, Herbert; Haeberlen, Ulrich; Lalowicz, Zdzisław T.; Olejniczak, Zbigniew; Oeser, Thomas
Location of the H atoms in ammonium persulphate by deuteron NMR. Verification by X-ray diffraction
Acta Crystallographica Section B, 2002, 58, 760-769
2103461 CIF
HKL
Paper
C51 H64 O4P 1 2/c 117.8141; 13.89; 17.806
90; 89.91; 90
4405.9Enright, Gary D.; Brouwer, Eric B.; Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A.
A reexamination of the low-temperature crystal structure of the <i>p-tert</i>-butylcalix[4]arene‒toluene inclusion compound. Differences in spatial averaging with Cu and Mo<i>K</i>α radiation
Acta Crystallographica Section B, 2002, 58, 1032-1035
2103462 CIF
HKL
Paper
C10 H13 N O3P 1 21/c 112.421; 12.056; 13.396
90; 91.51; 90
2005.3Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103463 CIF
HKL
Paper
C22 H32 N4 O4P 1 21/c 110.697; 11.024; 9.4896
90; 100.684; 90
1099.65Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103464 CIF
HKL
Paper
C21 H29 N3 O5P 1 21/c 110.5749; 11.0221; 9.3894
90; 101.145; 90
1073.77Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103465 CIF
HKL
Paper
C20 H28 N4 O4P 1 21/c 115.893; 5.1664; 12.993
90; 113.633; 90
977.4Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103466 CIF
HKL
Paper
C18 H17 N3 O2P 1 21/c 111.2906; 24.103; 11.5526
90; 96.1484; 90
3125.8Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103467 CIF
HKL
Paper
C20 H27 N3 O5P 21 21 217.2791; 14.6277; 18.303
90; 90; 90
1948.8Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103468 CIF
HKL
Paper
Al2 Mn3 O12 Si3I a -3 d11.63; 11.63; 11.63
90; 90; 90
1573Gramaccioli, Carlo Maria; Pilati, Tullio; Demartin, Francesco
Atomic displacement parameters for spessartine Mn~3~Al~2~Si~3~O~12~ and their lattice-dynamical interpretation
Acta Crystallographica Section B, 2002, 58, 965-969
2103469 CIF
Paper
Hg I2I 41/a m d :28.7863; 8.7863; 24.667
90; 90; 90
1904.3Hostettler, Marc; Birkedal, Henrik; Schwarzenbach, Dieter
The structure of orange HgI~2~. I. Polytypic layer structure
Acta Crystallographica Section B, 2002, 58, 903-913
2103470 CIF
Paper
Hg I2P 42/n m c :28.7863; 8.7863; 12.334
90; 90; 90
952.2Hostettler, Marc; Birkedal, Henrik; Schwarzenbach, Dieter
The structure of orange HgI~2~. I. Polytypic layer structure
Acta Crystallographica Section B, 2002, 58, 903-913
2103471 CIF
Paper
Hg I2I 41/a c d :212.393; 12.393; 24.889
90; 90; 90
3822.6Hostettler, Marc; Schwarzenbach, Dieter
The structure of orange HgI~2~. II. Diamond-type structure and twinning
Acta Crystallographica Section B, 2002, 58, 914-920
2103472 CIF
HKL
Paper
C6 H6 OP 1 21 111.61; 5.4416; 12.217
90; 101.47; 90
756.4Allan, David R.; Clark, Stewart J.; Dawson, Alice; McGregor, Pamela A.; Parsons, Simon
Pressure-induced polymorphism in phenol
Acta Crystallographica Section B, 2002, 58, 1018-1024
2103473 CIF
HKL
Paper
C20 H26 Cl2 N3 O5 P3P 1 21/n 117.618; 8.1109; 19.284
90; 114.44; 90
2508.7Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103474 CIF
HKL
Paper
C24 H30 F6 N3 O7 P3P 1 21/n 115.3839; 8.0685; 24.1935
90; 105.877; 90
2888.46Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103475 CIF
HKL
Paper
C32 H36 N3 O7 P3P 110.166; 12.105; 13.313
88.86; 86.54; 78.14
1600.3Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103476 CIF
HKL
Paper
C22 H32 N3 O7 P3P 1 21/n 111.8293; 10.3312; 21.6318
90; 100.203; 90
2601.84Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103477 CIF
HKL
Paper
C32 H40 N5 O6 P3P -110.519; 12.694; 14.34
114.81; 93.81; 103.59
1659.6Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103478 CIF
HKL
Paper
C28 H46 N5 O5 P3P -19.5003; 10.421; 17.1257
92.598; 90.645; 108.799
1602.79Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103479 CIF
HKL
Paper
Nb2 O7 Sr23.9544; 26.767; 5.6961
90; 90; 90
602.92Daniels, Peter; Tamazyan, Rafael; Kuntscher, Christine A.; Dressel, Martin; Lichtenberg, Frank; van Smaalen, Sander
The incommensurate modulation of the structure of Sr~2~Nb~2~O~7~
Acta Crystallographica Section B, 2002, 58, 970-976
2103480 CIF
HKL
Paper
C9 H20 N4 O7C 1 2/c 119.559; 5.0296; 28.407
90; 90.553; 90
2794.4Saraswathi, N. T.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of <small>DL</small>- and <small>L</small>-arginine
Acta Crystallographica Section B, 2002, 58, 1051-1056
2103481 CIF
HKL
Paper
C9 H18 N4 O6P 15.353; 6.931; 9.922
69.53; 89.035; 71.128
324.4Saraswathi, N. T.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of <small>DL</small>- and <small>L</small>-arginine
Acta Crystallographica Section B, 2002, 58, 1051-1056
2103482 CIF
HKL
Paper
C18 H26.712 Co N6 O4P 1 21/n 115.5525; 7.5711; 18.1578
90; 98.42; 90
2115.03Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103483 CIF
HKL
Paper
C17.48 H21 Co N6 O4P 1 21/n 111.5388; 9.3751; 19.2929
90; 92.204; 90
2085.51Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103484 CIF
HKL
Paper
C17.5 H19 Co N6 O4P 1 21/n 111.5432; 9.3978; 19.5033
90; 90.992; 90
2115.4Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103485 CIF
Paper
C18 H21 Co N6 O4P 1 21/n 111.7299; 9.2358; 19.8561
90; 91.082; 90
2150.73Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103486 CIF
HKL
Paper
C18 H18 Co N6 O4P 1 21/n 111.509; 9.441; 20.033
90; 95.875; 90
2165.28Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103487 CIF
Paper
C9 H6 O SP 21 21 214.0515; 10.1749; 17.6519
90; 90; 90
727.67Munshi, Parthapratim; Guru Row, T. N.
Electron density study of 2<i>H</i>-chromene-2-thione
Acta Crystallographica Section B, 2002, 58, 1011-1017
2103488 CIF
Paper
C55.5 H13.5 N0.9 O36.8P 1 21 115.4797; 25.5892; 9.2973
90; 98.976; 90
3637.7Pop, Mihaela M.; Goubitz, Kees; Borodi, Gheorghe; Bogdan, Mircea; De Ridder, Dirk J. A.; Peschar, Rene; Schenk, Henk
Crystal structure of the inclusion complex of β-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations
Acta Crystallographica Section B, 2002, 58, 1036-1043
2103489 CIF
Paper
C55.5 H13.5 N0.9 O36.8P 1 21 115.4797; 25.5892; 9.2973
90; 98.976; 90
3637.7Pop, Mihaela M.; Goubitz, Kees; Borodi, Gheorghe; Bogdan, Mircea; De Ridder, Dirk J. A.; Peschar, Rene; Schenk, Henk
Crystal structure of the inclusion complex of β-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations
Acta Crystallographica Section B, 2002, 58, 1036-1043
2103490 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.024; 13.182; 3.677
90; 90; 90
679.7Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103491 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.04; 13.208; 3.694
90; 90; 90
685Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103492 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.052; 13.224; 3.714
90; 90; 90
690.1Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103493 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.069; 13.245; 3.738
90; 90; 90
696.6Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103494 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.084; 13.292; 3.802
90; 90; 90
711.8Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103495 CIF
HKL
Paper
C11 H17 N O3P 21 21 216.8465; 6.9702; 24.248
90; 90; 90
1157.2Langkilde, Annette; Oddershede, Jette; Larsen, Sine
Diastereomeric salts of lactic acid and 1-phenylethylamine, their structures and relative stabilities
Acta Crystallographica Section B, 2002, 58, 1044-1050
2103496 CIF
HKL
Paper
C11 H19 N O4P 1 21 18.0795; 5.8794; 12.852
90; 94.53; 90
608.6Langkilde, Annette; Oddershede, Jette; Larsen, Sine
Diastereomeric salts of lactic acid and 1-phenylethylamine, their structures and relative stabilities
Acta Crystallographica Section B, 2002, 58, 1044-1050
2103497 CIF
Paper
C2 H3 NC m c 216.187; 5.282; 7.887
90; 90; 90
257.7Enjalbert, Renée; Galy, Jean
CH~3~CN: X-ray structural investigation of a unique single crystal. β →α phase transition and crystal structure
Acta Crystallographica Section B, 2002, 58, 1005-1010
2103498 CIF
Paper
C2 H3 NP 1 21/c 14.102; 8.244; 7.97
90; 100.1; 90
265.3Enjalbert, Renée; Galy, Jean
CH~3~CN: X-ray structural investigation of a unique single crystal. β →α phase transition and crystal structure
Acta Crystallographica Section B, 2002, 58, 1005-1010
2103499 CIF
HKL
Paper
C40 H40 Br10 P2 Se4 TeP 1 21/c 110.363; 12.83; 19.666
90; 92.43; 90
2612.4Janickis, Vitalijus; Nečas, Marek; Novosad, Josef; Dušek, Michal; Petříček, Václav
Commensurate and incommensurate structures of~the hexabromotellurate(IV) bis{dibromodiselenate(I)} ion ‒ [(C~2~H~5~)~<i>n~</i>(C~6~H~5~)~4{-~<i>n</i>}P]~2~[TeBr~6~(Se~2~Br~2~)~2~], <i>n</i>=0,1
Acta Crystallographica Section B, 2002, 58, 977-985
2103500 CIF
HKL
Paper
C24 H20 Br5 P Se2 Te0.5P 1 21/c 111.261; 24.543; 10.814
90; 102.84; 90
2914Janickis, Vitalijus; Nečas, Marek; Novosad, Josef; Dušek, Michal; Petříček, Václav
Commensurate and incommensurate structures of~the hexabromotellurate(IV) bis{dibromodiselenate(I)} ion ‒ [(C~2~H~5~)~<i>n~</i>(C~6~H~5~)~4{-~<i>n</i>}P]~2~[TeBr~6~(Se~2~Br~2~)~2~], <i>n</i>=0,1
Acta Crystallographica Section B, 2002, 58, 977-985
2103501 CIF
Paper
Ga5.54 La3 O14 Ta0.46P 3 2 18.213; 8.213; 5.115
90; 90; 120
298.8Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103502 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.202; 8.202; 5.123
90; 90; 120
298.5Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103503 CIFGa11 La6 O28 TaA 1 2 15.024; 7.98; 13.823
90; 90; 90
554.2Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103504 CIFGa5.54 La3 O14 Ta0.46P 3 2 17.981; 7.981; 5.024
90; 90; 120
277.1Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103505 CIFGa5.54 La3 O14 Ta0.46P 3 2 17.981; 7.981; 5.024
90; 90; 120
277.1Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103506 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.991; 7.991; 5.037
90; 90; 120
278.5Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103507 CIFGa11 La6 O28 TaA 1 2 15.021; 7.972; 13.808
90; 90; 90
552.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103508 CIFGa5.54 La3 O14 Ta0.46P 3 2 17.972; 7.972; 5.021
90; 90; 120
276.3Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103509 CIFGa5.54 La3 O14 Ta0.46P 3 2 17.972; 7.972; 5.021
90; 90; 120
276.3Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103510 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.953; 7.953; 5.023
90; 90; 120
275.1Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103511 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.953; 7.953; 5.023
90; 90; 120
275.1Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103512 CIFGa11 La6 O28 TaA 1 2 15.013; 7.944; 13.759
90; 90; 90
547.9Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103513 CIFGa5.54 La3 O14 Ta0.46P 3 2 17.944; 7.944; 5.012
90; 90; 120
273.9Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103514 CIFGa5.54 La3 O14 Ta0.46P 3 2 17.944; 7.944; 5.012
90; 90; 120
273.9Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103515 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.864; 7.864; 5.007
90; 90; 120
268.2Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103516 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.864; 7.864; 5.007
90; 90; 120
268.2Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103517 CIFGa11 La6 O28 TaA 1 2 14.999; 7.872; 13.635
90; 90; 90
536.6Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103518 CIFGa5.54 La3 O14 Ta0.46P 3 2 17.872; 7.872; 4.999
90; 90; 120
268.3Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103519 CIFGa5.54 La3 O14 Ta0.46P 3 2 17.872; 7.872; 4.999
90; 90; 120
268.3Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103520 CIFGa11 La6 Nb O28A 1 2 14.994; 7.783; 13.481
90; 90; 90
524Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103521 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.783; 7.783; 4.994
90; 90; 120
262Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103522 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.783; 7.783; 4.994
90; 90; 120
262Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103523 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.188; 8.188; 5.113
90; 90; 120
296.9Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103524 CIFGa11 La6 Nb O28A 1 2 14.985; 7.695; 13.328
90; 90; 90
511.3Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103525 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.692; 7.692; 4.985
90; 90; 120
255.4Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103526 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.695; 7.695; 4.985
90; 90; 120
255.6Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103527 CIFGa11 La6 Nb O28A 1 2 14.97; 7.68; 13.302
90; 90; 90
507.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103528 CIFGa5.5 La3 Nb0.5 O14P 3 2 17.68; 7.68; 4.97
90; 90; 120
253.9Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103529 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.167; 8.167; 5.098
90; 90; 120
294.5Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103530 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.155; 8.155; 5.091
90; 90; 120
293.2Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103531 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.158; 8.158; 5.099
90; 90; 120
293.9Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103532 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.135; 8.135; 5.09
90; 90; 120
291.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103533 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.126; 8.126; 5.083
90; 90; 120
290.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103534 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.116; 8.116; 5.086
90; 90; 120
290.1Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103535 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.121; 8.121; 5.084
90; 90; 120
290.4Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103536 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.105; 8.105; 5.074
90; 90; 120
288.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103537 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.089; 8.089; 5.064
90; 90; 120
287Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103538 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.084; 8.084; 5.069
90; 90; 120
286.9Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103539 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.072; 8.072; 5.065
90; 90; 120
285.8Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103540 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.06; 8.06; 5.06
90; 90; 120
284.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103541 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.069; 8.069; 5.062
90; 90; 120
285.4Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103542 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.063; 8.063; 5.059
90; 90; 120
284.8Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103543 CIFGa5.54 La3 O14 Ta0.46P 3 2 18.022; 8.022; 5.046
90; 90; 120
281.2Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103544 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.024; 8.024; 5.049
90; 90; 120
281.5Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103545 CIFGa5.5 La3 Nb0.5 O14P 3 2 18.014; 8.014; 5.046
90; 90; 120
280.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2105696 CIFC2 H5 N O2P 1 21/n 15.0993; 11.9416; 5.4608
90; 111.784; 90
308.78Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.
Structural characterization of crystals of α-glycine during anomalous electrical behaviour
Acta Crystallographica Section B Structural Science, 2002, 58, 728
2105697 CIFC2 H5 N O2P 1 21/n 15.0999; 11.9516; 5.4594
90; 111.781; 90
309Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.
Structural characterization of crystals of α-glycine during anomalous electrical behaviour
Acta Crystallographica Section B Structural Science, 2002, 58, 728
2105698 CIFC2 H5 N O2P 1 21/n 15.1008; 11.9558; 5.4602
90; 111.772; 90
309.23Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.
Structural characterization of crystals of α-glycine during anomalous electrical behaviour
Acta Crystallographica Section B Structural Science, 2002, 58, 728
2105699 CIFC2 H5 N O2P 1 21/n 15.1012; 11.9651; 5.4604
90; 111.763; 90
309.53Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.
Structural characterization of crystals of α-glycine during anomalous electrical behaviour
Acta Crystallographica Section B Structural Science, 2002, 58, 728
2105700 CIFC2 H5 N O2P 1 21/n 15.1026; 11.9752; 5.4602
90; 111.757; 90
309.88Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.
Structural characterization of crystals of α-glycine during anomalous electrical behaviour
Acta Crystallographica Section B Structural Science, 2002, 58, 728
2105701 CIFC2 H5 N O2P 1 21/n 15.1074; 12.0775; 5.4596
90; 111.827; 90
312.63Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.
Structural characterization of crystals of α-glycine during anomalous electrical behaviour
Acta Crystallographica Section B Structural Science, 2002, 58, 728
2106746 CIFF4 Mg SrP 1 1 21/m7.8249; 7.493; 16.9248
90; 90; 105.041
958.337Abrahams, S.C.
Structurally ferroelectric Sr Mg F4
Acta Crystallographica B (39,1983-), 2002, 58, 34-37
2106759 CIFHg I2P -4 m 28.7863; 8.7863; 6.1667
90; 90; 90
476.063Hostettler, M.; Birkedal, H.; Schwarzenbach, D.
The structure of orange Hg I2. I. Polytypic layer structure
Acta Crystallographica B (39,1983-), 2002, 58, 903-913
2106764 CIFCu SeP 63/m m c3.952; 3.952; 17.244
90; 90; 120
233.24Milman, V.
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Acta Crystallographica B (39,1983-), 2002, 58, 437-447
2106765 CIFCu SeP 63/m m c3.85; 3.85; 16.555
90; 90; 120
212.511Milman, V.
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Acta Crystallographica B (39,1983-), 2002, 58, 437-447
2106766 CIFCu SeP 63/m m c3.778; 3.778; 15.908
90; 90; 120
196.639Milman, V.
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Acta Crystallographica B (39,1983-), 2002, 58, 437-447
2106767 CIFCu SeP 63/m m c3.658; 3.658; 15.106
90; 90; 120
175.052Milman, V.
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Acta Crystallographica B (39,1983-), 2002, 58, 437-447
2106768 CIFCu SeP 63/m m c3.604; 3.604; 14.597
90; 90; 120
164.196Milman, V.
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Acta Crystallographica B (39,1983-), 2002, 58, 437-447
2106769 CIFCu SeP 63/m m c3.706; 3.706; 12.046
90; 90; 120
143.28Milman, V.
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Acta Crystallographica B (39,1983-), 2002, 58, 437-447
2106770 CIFCu SeP 63/m m c3.691; 3.691; 11.442
90; 90; 120
134.996Milman, V.
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Acta Crystallographica B (39,1983-), 2002, 58, 437-447
2106771 CIFGa5.5 La3 O14 Ta0.5A 1 2 14.999; 7.872; 13.635
90; 90; 90
536.566Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5O14
Acta Crystallographica B (39,1983-), 2002, 58, 939-947
2106774 CIFGa5.5 La3 Nb0.5 O14A 1 2 15.0236; 7.956; 13.78
90; 90; 90
550.756Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5 O14
Acta Crystallographica B (39,1983-), 2002, 58, 939-947
2106775 CIFGa5.5 La3 Nb0.5 O14A 1 2 14.984; 7.664; 13.274
90; 90; 90
507.032Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5 O14
Acta Crystallographica B (39,1983-), 2002, 58, 939-947
9007701 CIFAl2 Mn3 O12 Si3I a -3 d11.63; 11.63; 11.63
90; 90; 90
1573.04Gramaccioli, C. M.; Pilati, T.; Demartin, F.
Atomic displacement parameters for spessartine Mn3Al2Si3O12 and their lattice-dynamical interpretation
Acta Crystallographica, Section B, 2002, 58, 965-969

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