Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Sect. B'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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2104629 | CIF Paper | ? | ; ; ; ; | King, Graham; Garcia-Martin, Susana; Woodward, Patrick M. Octahedral tilt twinning and compositional modulation in NaLaMgWO~6~ Acta Crystallographica Section B, 2009, 65, 676-683 | ||
2101328 | CIF Paper | B17 Be N2 | P 63/m m c | 2.2853; 2.2853; 3.5842 90; 90; 120 | 16.211 | Iversen, B. B.; Larsen, F. K.; Souhassou, M.; Takata, M. Experimental evidence for the existence of non-nuclear maxima in the electron-density distribution of metallic beryllium. A comparative study of the maximum entropy method and the multipole refinement method Acta Crystallographica Section B, 1995, 51, 580-591 |
9017314 | CIF | Be | P 63/m m c | 2.2853; 2.2853; 3.5842 90; 90; 120 | 16.211 | Larsen, F. K.; Hansen, N. K. Diffraction study of the electron density distribution in beryllium metal Acta Crystallographica, Section B, 1984, 40, 169-179 |
2100648 | CIF Paper | C W | P -6 m 2 | 2.89; 2.89; 2.8212 90; 90; 120 | 20.406 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2100660 | CIF Paper | C W | P -6 m 2 | 2.889; 2.889; 2.827 90; 90; 120 | 20.434 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102277 | CIF Paper | C W | P -6 m 2 | 2.8916; 2.8916; 2.8298 90; 90; 120 | 20.491 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100645 | CIF Paper | C W | P -6 m 2 | 2.8934; 2.8934; 2.8315 90; 90; 120 | 20.528 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102301 | CIF Paper | C W | P -6 m 2 | 2.8945; 2.8945; 2.8293 90; 90; 120 | 20.528 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102274 | CIF Paper | C W | P -6 m 2 | 2.8952; 2.8952; 2.8294 90; 90; 120 | 20.539 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102259 | CIF Paper | C W | P -6 m 2 | 2.8974; 2.8974; 2.8295 90; 90; 120 | 20.571 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102271 | CIF Paper | C W | P -6 m 2 | 2.8974; 2.8974; 2.8297 90; 90; 120 | 20.572 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102298 | CIF Paper | C W | P -6 m 2 | 2.8979; 2.8979; 2.8289 90; 90; 120 | 20.574 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102295 | CIF Paper | C W | P -6 m 2 | 2.8984; 2.8984; 2.8288 90; 90; 120 | 20.58 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102256 | CIF Paper | C W | P -6 m 2 | 2.8994; 2.8994; 2.8273 90; 90; 120 | 20.583 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102250 | CIF Paper | C W | P -6 m 2 | 2.8978; 2.8978; 2.8306 90; 90; 120 | 20.585 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102289 | CIF Paper | C W | P -6 m 2 | 2.8987; 2.8987; 2.8295 90; 90; 120 | 20.589 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102292 | CIF Paper | C W | P -6 m 2 | 2.8982; 2.8982; 2.8314 90; 90; 120 | 20.596 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102253 | CIF Paper | C W | P -6 m 2 | 2.899; 2.899; 2.8304 90; 90; 120 | 20.6 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102247 | CIF Paper | C W | P -6 m 2 | 2.8995; 2.8995; 2.8302 90; 90; 120 | 20.607 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102244 | CIF Paper | C W | P -6 m 2 | 2.9005; 2.9005; 2.829 90; 90; 120 | 20.611 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102268 | CIF Paper | C W | P -6 m 2 | 2.8993; 2.8993; 2.8314 90; 90; 120 | 20.613 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100642 | CIF Paper | C W | P -6 m 2 | 2.896; 2.896; 2.8389 90; 90; 120 | 20.62 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102286 | CIF Paper | C W | P -6 m 2 | 2.9008; 2.9008; 2.8295 90; 90; 120 | 20.62 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100657 | CIF Paper | C W | P -6 m 2 | 2.8991; 2.8991; 2.834 90; 90; 120 | 20.624 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102283 | CIF Paper | C W | P -6 m 2 | 2.9003; 2.9003; 2.8311 90; 90; 120 | 20.625 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102280 | CIF Paper | C W | P -6 m 2 | 2.9017; 2.9017; 2.8286 90; 90; 120 | 20.626 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100651 | CIF Paper | C W | P -6 m 2 | 2.9036; 2.9036; 2.828 90; 90; 120 | 20.646 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2100639 | CIF Paper | C W | P -6 m 2 | 2.9039; 2.9039; 2.8293 90; 90; 120 | 20.662 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102262 | CIF Paper | C W | P -6 m 2 | 2.9017; 2.9017; 2.8339 90; 90; 120 | 20.664 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102265 | CIF Paper | C W | P -6 m 2 | 2.903; 2.903; 2.8315 90; 90; 120 | 20.666 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100654 | CIF Paper | C W | P -6 m 2 | 2.9017; 2.9017; 2.834 90; 90; 120 | 20.668 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2100636 | CIF Paper | C W | P -6 m 2 | 2.9034; 2.9034; 2.8397 90; 90; 120 | 20.731 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2104025 | CIF Paper | Cl Na | P m -3 m | 2.86; 2.86; 2.86 90; 90; 90 | 23.394 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
2107290 | CIF HKL Paper | B2 V | P 6/m m m | 2.9977; 2.9977; 3.056 90; 90; 120 | 23.783 | Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~ Acta Crystallographica Section B, 2015, 71, 777-787 |
2104028 | CIF Paper | Re | P 63/m m c | 2.6029; 2.6029; 4.162 90; 90; 120 | 24.42 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
1008762 | CIF | Fe H O2 | P -3 m 1 | 2.95; 2.95; 4.56 90; 90; 120 | 34.4 | Patrat, G.; de Bergevin, F.; Pernet, M.; Joubert, J. C. Structure locale de δ-FeOOH Acta Crystallographica, Section B: Structural Science, 1983, 39, 165-170 |
1008016 | CIF | Cr0.9375 N V0.0625 | P n m m :2 | 2.8831; 2.9638; 4.1342 90; 90; 90 | 35.3 | Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3010-3013 |
1008017 | CIF | Cr0.875 N V0.125 | P n m m :2 | 2.884; 2.962; 4.1314 90; 90; 90 | 35.3 | Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3010-3013 |
1008959 | CIF | Cr0.9375 N V0.0625 | P n m m :2 | 2.8831; 2.9638; 4.1342 90; 90; 90 | 35.3 | Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J Etude cristallographique de Cr(1-x) V(x) N a basse temperature Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3010-3013 |
9011314 | CIF | H2 Ni O2 | P -3 m 1 | 3.12; 3.12; 4.61 90; 90; 120 | 38.863 | Ramesh, T. N.; Kamath, P. V.; Shivakumara, C. Classification of stacking faults and their stepwise elemination during the disorder -> order transformation of nickel hydroxide Acta Crystallographica, Section B, 2006, 62, 530-536 |
2101439 | CIF Paper | H2 Mg O2 | P -3 m 1 | 3.145; 3.145; 4.74 90; 90; 120 | 40.6 | Desgranges, L.; Calvarin, G.; Chevrier, G. Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~ Acta Crystallographica Section B, 1996, 52, 82-86 |
2101438 | CIF Paper | H2 Mg O2 | P -3 m 1 | 3.148; 3.148; 4.779 90; 90; 120 | 41.01 | Desgranges, L.; Calvarin, G.; Chevrier, G. Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~ Acta Crystallographica Section B, 1996, 52, 82-86 |
2100649 | CIF Paper | Ni | F m -3 m | 3.5194; 3.5194; 3.5194 90; 90; 90 | 43.59 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2100661 | CIF Paper | Ni | F m -3 m | 3.521; 3.5206; 3.5206 90; 90; 90 | 43.64 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2100646 | CIF Paper | Ni | F m -3 m | 3.5251; 3.5251; 3.5251 90; 90; 90 | 43.8 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102278 | CIF Paper | Ni | F m -3 m | 3.5276; 3.5276; 3.5276 90; 90; 90 | 43.897 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100643 | CIF Paper | Ni | F m -3 m | 3.5315; 3.5315; 3.5315 90; 90; 90 | 44.04 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2100658 | CIF Paper | Ni | F m -3 m | 3.532; 3.5316; 3.5316 90; 90; 90 | 44.04 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102275 | CIF Paper | Ni | F m -3 m | 3.5323; 3.5323; 3.5323 90; 90; 90 | 44.08 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100655 | CIF Paper | Ni | F m -3 m | 3.533; 3.5327; 3.5327 90; 90; 90 | 44.09 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102272 | CIF Paper | Ni | F m -3 m | 3.5347; 3.5347; 3.5347 90; 90; 90 | 44.16 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102302 | CIF Paper | Ni | F m -3 m | 3.5355; 3.5355; 3.5355 90; 90; 90 | 44.19 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100640 | CIF Paper | Ni | F m -3 m | 3.5359; 3.5359; 3.5359 90; 90; 90 | 44.21 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102269 | CIF Paper | Ni | F m -3 m | 3.5382; 3.5382; 3.5382 90; 90; 90 | 44.294 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100652 | CIF Paper | Ni | F m -3 m | 3.54; 3.5398; 3.5398 90; 90; 90 | 44.36 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102299 | CIF Paper | Ni | F m -3 m | 3.5409; 3.5409; 3.5409 90; 90; 90 | 44.397 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102266 | CIF Paper | Ni | F m -3 m | 3.5421; 3.5421; 3.5421 90; 90; 90 | 44.44 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102296 | CIF Paper | Ni | F m -3 m | 3.5433; 3.5433; 3.5433 90; 90; 90 | 44.485 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102263 | CIF Paper | Ni | F m -3 m | 3.5439; 3.5439; 3.5439 90; 90; 90 | 44.51 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102293 | CIF Paper | Ni | F m -3 m | 3.5442; 3.5442; 3.5442 90; 90; 90 | 44.52 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2100637 | CIF Paper | Ni | F m -3 m | 3.5451; 3.5451; 3.5451 90; 90; 90 | 44.56 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
2102290 | CIF Paper | Ni | F m -3 m | 3.5456; 3.5456; 3.5456 90; 90; 90 | 44.57 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102287 | CIF Paper | Ni | F m -3 m | 3.5474; 3.5474; 3.5474 90; 90; 90 | 44.64 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102284 | CIF Paper | Ni | F m -3 m | 3.5507; 3.5507; 3.5507 90; 90; 90 | 44.77 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102281 | CIF Paper | Ni | F m -3 m | 3.5513; 3.5513; 3.5513 90; 90; 90 | 44.79 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102260 | CIF Paper | Ni | F m -3 m | 3.5543; 3.5543; 3.5543 90; 90; 90 | 44.9 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102254 | CIF Paper | Ni | F m -3 m | 3.5551; 3.5551; 3.5551 90; 90; 90 | 44.93 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102257 | CIF Paper | Ni | F m -3 m | 3.5554; 3.5554; 3.5554 90; 90; 90 | 44.94 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102251 | CIF Paper | Ni | F m -3 m | 3.556; 3.556; 3.556 90; 90; 90 | 44.96 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102248 | CIF Paper | Ni | F m -3 m | 3.5587; 3.5587; 3.5587 90; 90; 90 | 45.069 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2102245 | CIF Paper | Ni | F m -3 m | 3.562; 3.562; 3.562 90; 90; 90 | 45.194 | Angel, R. J.; Bismayer, U.; Marshall, W. G. Local and long-range order in ferroelastic lead phosphate at high pressure Acta Crystallographica Section B, 2004, 60, 1-9 |
2101499 | CIF Paper | C | F d -3 m | 3.56658; 3.56658; 3.56658 90; 90; 90 | 45.3687 | Yamanaka, T.; Morimoto, S. Isotope effect on anharmonic thermal atomic vibration and κ refinement of ^12^C and ^3^C diamond Acta Crystallographica Section B, 1996, 52, 232-238 |
2100454 | CIF Paper | Rh | F m -3 m | 3.590966; 3.590966; 3.590966 90; 90; 90 | 46.3056 | E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B, 2006, 62, 173-189 |
9007530 | CIF | O2 Si | P 42/m n m | 4.179; 4.179; 2.6649 90; 90; 90 | 46.54 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2107059 | CIF | O Zn | P 63 m c | 3.2417; 3.2417; 5.1876 90; 90; 120 | 47.211 | Albertsson, J.; Abrahams, S.C.; Kvick, A. Atomic displacement, anharmonic thermal vibration, expansivity and pyroelectric coefficient thermal dependences in Zn O. Acta Crystallographica B (39,1983-), 1989, 45, 34-40 |
2104029 | CIF Paper | Pt | F m -3 m | 3.647; 3.647; 3.647 90; 90; 90 | 48.51 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
2104022 | CIF Paper | Ge O2 | P n n m | 4.2499; 4.2024; 2.8039 90; 90; 90 | 50.077 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
2104026 | CIF Paper | Pt | F m -3 m | 3.7381; 3.7381; 3.7381 90; 90; 90 | 52.234 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
2100456 | CIF Paper | In | I 4/m m m | 3.25094; 3.25094; 4.9474 90; 90; 90 | 52.287 | E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B, 2006, 62, 173-189 |
2107170 | CIF | Ni Ti | P 1 1 21/m | 2.885; 4.622; 4.12 90; 90; 96.8 | 54.552 | Michal, G.M.; Sinclair, R. The structure of Ti Ni martensite Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1803-1807 |
1001768 | CIF | Ca H2 O2 | P -3 m 1 | 3.589; 3.589; 4.911 90; 90; 120 | 54.8 | Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-), 1993, 49, 812-817 |
1001769 | CIF | Ca H2 O2 | P -3 m 1 | 3.589; 3.589; 4.911 90; 90; 120 | 54.8 | Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-), 1993, 49, 812-817 |
1001787 | CIF | Ca H2 O2 | P -3 m 1 | 3.589; 3.589; 4.911 90; 90; 120 | 54.8 | Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-), 1993, 49, 812-817 |
1001788 | CIF | Ca H2 O2 | P -3 m 1 | 3.589; 3.589; 4.911 90; 90; 120 | 54.8 | Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-), 1993, 49, 812-817 |
2101033 | CIF Paper | Ca H2 O2 | P -3 m 1 | 3.589; 3.589; 4.9111 90; 90; 120 | 54.8 | Desgranges, L.; Grebille, D.; Calvarin, G.; Chevrier, G.; Floquet, N.; Niepce, J.-C. Hydrogen thermal motion in calcium hydroxide: Ca(OH)~2~ Acta Crystallographica Section B, 1993, 49, 812-817 |
2104023 | CIF Paper | Pt | F m -3 m | 3.8072; 3.8072; 3.8072 90; 90; 90 | 55.184 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
9007532 | CIF | Ge O2 | P 42/m n m | 4.3975; 4.3975; 2.8625 90; 90; 90 | 55.355 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2101851 | CIF Paper | Ge O2 | P 42/m n m | 4.40656; 4.40656; 2.86186 90; 90; 90 | 55.5709 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural Studies of Rutile-Type Metal Dioxides Acta Crystallographica Section B, 1997, 53, 373-380 |
9016492 | CIF | Ge O2 | P 42/m n m | 4.4066; 4.4066; 2.8619 90; 90; 90 | 55.573 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
2106108 | CIF | Ni Ti | P 1 21/m 1 | 4.622; 4.21; 2.885 90; 96.8; 90 | 55.743 | Michal, G.M.; Sinclair, R. The structure of Ti Ni martensite Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1803-1807 |
2106056 | CIF | F0.6 Mo O2.4 | P m -3 m | 3.842; 3.842; 3.842 90; 90; 90 | 56.712 | Pierce, J.W.; Vlasse, M. The crystal structures of two oxyfluorides of molybdenum Acta Crystallographica B (24,1968-38,1982), 1971, 27, 158-163 |
9007540 | CIF | Cr O2 | P 42/m n m | 4.421; 4.421; 2.917 90; 90; 90 | 57.013 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Cloud et al (1962) Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2103982 | CIF Paper | Na0.74 O3 W | P m -3 m | 3.857719; 3.857719; 3.857719 90; 90; 90 | 57.4106 | Darlington, C. N. W.; Hriljac, J. A.; Knight, K. S. Structures of Na~0.74~WO~3~ Acta Crystallographica Section B, 2003, 59, 584-587 |
2100611 | CIF Paper | Ga0.444 O3.556 Ti1.444 | P2/m(\a1/2\g)00 | 4.0904; 2.9755; 4.7359 90; 90.2935; 90 | 57.6416 | Michiue, Yuichi; Yamamoto, Akiji; Tanaka, Masahiko Superspace description of the homologous series Ga~4~Ti~m-4~O~2m-2~ with the crystallographic shear structure based on rutile Acta Crystallographica, Section B, 2006, 62, 737-744 |
2105810 | CIF Paper | Li Zn3.175 | C m c m | 2.7679; 4.7942; 4.3864 90; 90; 90 | 58.207 | Pavlyuk, Volodymyr; Chumak, Ihor; Akselrud, Lev; Lidin, Sven; Ehrenberg, Helmut LiZn~4{-~<i>x</i>} (<i>x</i> = 0.825) as a (3+1)-dimensional modulated derivative of hexagonal close packing Acta Crystallographica Section B, 2014, 70, 212-217 |
2107137 | CIF | Se2 V1.005 | P -3 m 1 | 3.356; 3.356; 6.104 90; 90; 120 | 59.537 | Rigoult, J.; Guidi-Morosini, C.; Tomas, A.; Molinie, P. An Accurate Refinement of 1T-V Se2 at Room Temperature Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1557-1559 |
2103297 | CIF Paper | Bi0.5 Na0.5 O3 Ti | P m -3 m | 3.91368; 3.91368; 3.91368 90; 90; 90 | 59.9454 | Jones, G. O.; Thomas, P. A. Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~ Acta Crystallographica Section B, 2002, 58, 168-178 |
2101931 | CIF Paper | O2 Ru | P n n m | 4.4865; 4.4347; 3.0934 90; 90; 90 | 61.547 | Haines, J.; Léger, J. M.; Schulte, O.; Hull, S. Neutron Diffraction Study of the Ambient-Pressure, Rutile-Type and the High-Pressure, CaCl~2~-Type Phases of Ruthenium Dioxide Acta Crystallographica Section B, 1997, 53, 880-884 |
2310780 | CIF Paper | Bi0.097 Fe1.049 O2.585 Pb0.856 | I 1 2/m 1 | 3.93492; 3.93193; 4.00171 90; 92.603; 90 | 61.85 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2106199 | CIF | Cs I | P 4/m b m | 3.88; 3.88; 4.12 90; 90; 90 | 62.024 | Morlin, Z. Phase transformation of thin cesium iodide layers at low temperatures Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2493-2494 |
2107529 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9637; 3.9637; 3.9637 90; 90; 90 | 62.273 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2107530 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9639; 3.9639; 3.9639 90; 90; 90 | 62.28 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2107531 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9646; 3.9646; 3.9646 90; 90; 90 | 62.32 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
9015662 | CIF | O2 Ti | P 42/m n m | 4.5937; 4.5937; 2.9587 90; 90; 90 | 62.435 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
2107532 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9674; 3.9674; 3.9674 90; 90; 90 | 62.45 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
9007531 | CIF | O2 Ti | P 42/m n m | 4.5941; 4.5941; 2.9589 90; 90; 90 | 62.45 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2310781 | CIF Paper | Bi0.195 Fe1.046 O2.633 Pb0.763 | I 1 2/m 1 | 3.92822; 3.92661; 4.05202 90; 92.209; 90 | 62.454 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
9011193 | CIF | O3 Pb Ti | P 4/m m m | 3.97; 3.97; 3.97 90; 90; 90 | 62.571 | Glazer, A. M.; Mabud, S. A. Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO3 Locality: synthetic Sample: T = 550 C Acta Crystallographica, Section B, 1978, 34, 1065-1070 |
2104294 | CIF Paper | K0.3 Na0.7 Nb O3 | P 4 m m | 3.95092; 3.95092; 4.00852 90; 90; 90 | 62.5721 | Baker, D. W.; Thomas, P. A.; Zhang, N.; Glazer, A. M. Structural study of K~<i>x~</i>Na~1{-~<i>x</i>}NbO~3~ (KNN) for compositions in the range <i>x</i> = 0.24‒0.36 Acta Crystallographica Section B, 2009, 65, 22-28 |
2107533 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9702; 3.9702; 3.9702 90; 90; 90 | 62.58 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2107528 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9503; 3.9503; 4.0161 90; 90; 90 | 62.67 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
9007541 | CIF | O2 Ru | P 42/m n m | 4.4919; 4.4919; 3.1066 90; 90; 90 | 62.682 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970) Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2101930 | CIF Paper | O2 Ru | P 42/m n m | 4.49307; 4.49307; 3.10639 90; 90; 90 | 62.711 | Haines, J.; Léger, J. M.; Schulte, O.; Hull, S. Neutron Diffraction Study of the Ambient-Pressure, Rutile-Type and the High-Pressure, CaCl~2~-Type Phases of Ruthenium Dioxide Acta Crystallographica Section B, 1997, 53, 880-884 |
2107534 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9734; 3.9734; 3.9734 90; 90; 90 | 62.73 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2107527 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9474; 3.9474; 4.0263 90; 90; 90 | 62.74 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
1000058 | CIF | O2 Ru | P 42/m n m | 4.4968; 4.4968; 3.1049 90; 90; 90 | 62.8 | Bolzan A A; Fong C; Kennedy B J; Howard C J Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
2107526 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9435; 3.9435; 4.0401 90; 90; 90 | 62.83 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2310782 | CIF Paper | Bi0.292 Fe1.042 O2.675 Pb0.671 | I 1 2/m 1 | 3.92131; 3.91951; 4.09255 90; 91.913; 90 | 62.866 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2107525 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9339; 3.9339; 4.0683 90; 90; 90 | 62.96 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2107524 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9211; 3.9211; 4.1025 90; 90; 90 | 63.076 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2107521 | CIF HKL Paper | O3 Pb Ti | P 4 m m | 3.8992; 3.8992; 4.1499 90; 90; 90 | 63.094 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2107523 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9117; 3.9117; 4.1243 90; 90; 90 | 63.108 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
2107522 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9043; 3.9043; 4.1407 90; 90; 90 | 63.119 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
9011190 | CIF | O3 Pb Ti | P 4 m m | 3.895; 3.895; 4.171 90; 90; 90 | 63.278 | Glazer, A. M.; Mabud, S. A. Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO3 Locality: synthetic Sample: T = -183 C Acta Crystallographica, Section B, 1978, 34, 1065-1070 |
9011191 | CIF | O3 Pb Ti | P 4 m m | 3.899; 3.899; 4.167 90; 90; 90 | 63.348 | Glazer, A. M.; Mabud, S. A. Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO3 Locality: synthetic Sample; T = -115 C Acta Crystallographica, Section B, 1978, 34, 1065-1070 |
2310783 | CIF Paper | Bi0.428 Fe1.034 O2.736 Pb0.541 | I 1 2/m 1 | 3.9146; 3.91271; 4.13775 90; 91.554; 90 | 63.353 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
9011192 | CIF | O3 Pb Ti | P 4 m m | 3.905; 3.905; 4.156 90; 90; 90 | 63.375 | Glazer, A. M.; Mabud, S. A. Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO3 Locality: synthetic Sample: T = 25 C Acta Crystallographica, Section B, 1978, 34, 1065-1070 |
2102087 | CIF Paper | K O3 Ta | P m -3 m | 3.9883; 3.9883; 3.9883 90; 90; 90 | 63.44 | Zhurova, Elizabeth A.; Ivanov, Yury; Zavodnik, Valery; Tsirelson, Vladimir Electron density and atomic displacements in KTaO~3~ Acta Crystallographica Section B, 2000, 56, 594-600 |
2310784 | CIF Paper | Bi0.545 Fe1.027 O2.783 Pb0.428 | I 1 2/m 1 | 3.90908; 3.90585; 4.16564 90; 91.318; 90 | 63.585 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2108329 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 3.997; 3.997; 3.997 90; 90; 90 | 63.86 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2108325 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 3.9978; 3.9978; 3.9978 90; 90; 90 | 63.894 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2101854 | CIF Paper | Ir O2 | P 42/m n m | 4.5051; 4.5051; 3.1586 90; 90; 90 | 64.107 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural Studies of Rutile-Type Metal Dioxides Acta Crystallographica Section B, 1997, 53, 373-380 |
2103618 | CIF HKL Paper | K0.934 O2.94 Ta | P m -3 m | 4.005; 4.005; 4.005 90; 90; 90 | 64.24 | Arakcheeva, Alla; Chapuis, Gervais; Grinevitch, Vladimir; Shamray, Vladimir A novel perovskite-like Ta-bronze KTa~1+<i>z~</i>O~3~: preparation, stoichiometry, conductivity and crystal structure studies Acta Crystallographica Section B, 2001, 57, 157-162 |
2100858 | CIF Paper | Ba O3 Ti | P 4 m m | 3.9998; 3.9998; 4.018 90; 90; 90 | 64.28 | Buttner, R. H.; Maslen, E. N. Structural parameters and electron difference density in BaTiO~3~ Acta Crystallographica Section B, 1992, 48, 764-769 |
2100859 | CIF Paper | Ba O3 Ti | P 4 m m | 3.9998; 3.9998; 4.018 90; 90; 90 | 64.28 | Buttner, R. H.; Maslen, E. N. Structural parameters and electron difference density in BaTiO~3~ Acta Crystallographica Section B, 1992, 48, 764-769 |
2100860 | CIF Paper | Ba O3 Ti | P 4/m m m | 3.9998; 3.9998; 4.018 90; 90; 90 | 64.28 | Buttner, R. H.; Maslen, E. N. Structural parameters and electron difference density in BaTiO~3~ Acta Crystallographica Section B, 1992, 48, 764-769 |
2100862 | CIF Paper | Ba O3 Ti | P m -3 m | 4.006; 4.006; 4.006 90; 90; 90 | 64.29 | Buttner, R. H.; Maslen, E. N. Structural parameters and electron difference density in BaTiO~3~ Acta Crystallographica Section B, 1992, 48, 764-769 |
9007534 | CIF | F2 Mg | P 42/m n m | 4.6213; 4.6213; 3.0159 90; 90; 90 | 64.409 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
9007542 | CIF | O2 Os | P 42/m n m | 4.5003; 4.5003; 3.1839 90; 90; 90 | 64.483 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970) Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2101704 | CIF Paper | O4 Sb0.92 V1.08 | P 42/m n m | 4.6085; 4.6085; 3.0867 90; 90; 90 | 65.556 | Landa-Cánovas, A. R.; Hansen, S.; Ståhl, K. Rutile Superstructure of Sb~0.9~V~1.1~O~4~ Acta Crystallographica Section B, 1997, 53, 221-230 |
1009025 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 3.999; 3.999; 4.12 90; 90; 90 | 65.9 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
2108326 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0406; 4.0406; 4.0406 90; 90; 90 | 65.969 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
1009026 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 4.012; 4.012; 4.1 90; 90; 90 | 66 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
1009027 | CIF | Hf0.4 O3 Pb Ti0.6 | P m -3 m | 4.046; 4.046; 4.046 90; 90; 90 | 66.2 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
2100388 | CIF Paper | Hf0.006 O1.968 Zr0.994 | P 42/n m c | 3.58651; 3.58651; 5.16658 90; 90; 90 | 66.458 | Yashima, Masatomo; Tsunekawa, Shin Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Acta Crystallographica, Section B, 2006, 62, 161-164 |
2100389 | CIF Paper | ? | P 42/n m c :1 | 3.58651; 3.58651; 5.16658 90; 90; 90 | 66.46 | Yashima, Masatomo; Tsunekawa, Shin Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Acta Crystallographica, Section B, 2006, 62, 161-164 |
2104730 | CIF Paper | Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 | P m -3 m | 4.05291; 4.05291; 4.05291 90; 90; 90 | 66.5734 | Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B, 2010, 66, 280-291 |
2103713 | CIF Paper | C3.2 B1.1 Sc2 | 3.387; 3.387; 6.703 90; 90; 120 | 66.59 | Onoda, Mitsuko; Shi, Ying; Leithe-Jasper, A.; Tanaka, Takaho Structure refinement of the layered composite crystal Sc~2~B~1.1~C~3.2~ in a five-dimensional formalism Acta Crystallographica Section B, 2001, 57, 449-457 | |
2100984 | CIF Paper | F2 Ni | P 42/m n m | 4.6497; 4.6497; 3.0836 90; 90; 90 | 66.67 | Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R. Charge densities of two rutile structures: NiF~2~ and CoF~2~ Acta Crystallographica Section B, 1993, 49, 591-599 |
2100985 | CIF Paper | F2 Ni | P 42/m n m | 4.6497; 4.6497; 3.0836 90; 90; 90 | 66.67 | Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R. Charge densities of two rutile structures: NiF~2~ and CoF~2~ Acta Crystallographica Section B, 1993, 49, 591-599 |
9007538 | CIF | F2 Ni | P 42/m n m | 4.6498; 4.6498; 3.0838 90; 90; 90 | 66.674 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2108327 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0581; 4.0581; 4.0581 90; 90; 90 | 66.83 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2101583 | CIF Paper | Mn0.04 Ni0.04 O3 Pb Ti0.04 Zr0.44 | P 4 m m | 4.0382; 4.0382; 4.1057 90; 90; 90 | 66.952 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
9015117 | CIF | O0.984 Y0.065 Zr0.935 | P 42/n m c | 3.6055; 3.6055; 5.1797 90; 90; 90 | 67.334 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120 |
2107445 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6047; 3.6047; 5.184 90; 90; 90 | 67.36 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107446 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6053; 3.6053; 5.1843 90; 90; 90 | 67.387 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107448 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6055; 3.6055; 5.1841 90; 90; 90 | 67.391 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107450 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6059; 3.6059; 5.1838 90; 90; 90 | 67.402 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107452 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6062; 3.6062; 5.1841 90; 90; 90 | 67.418 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107454 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.612; 3.612; 5.172 90; 90; 90 | 67.48 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
9007640 | CIF | Ni3 S2 | R 3 2 :R | 4.0718; 4.0718; 4.0718 89.459; 89.459; 89.459 | 67.5 | Parise, J. B. Structure of hazelwoodite (Ni3S2) Acta Crystallographica, Section B, 1980, 36, 1179-1180 |
2104729 | CIF Paper | Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 | P m -3 m | 4.07168; 4.07168; 4.07168 90; 90; 90 | 67.5027 | Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B, 2010, 66, 280-291 |
2102764 | CIF Paper | D Li | F m -3 m | 4.0735; 4.0735; 4.0735 90; 90; 90 | 67.593 | Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B, 2007, 63, 63-68 |
2104728 | CIF Paper | Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 | P m -3 m | 4.07621; 4.07621; 4.07621 90; 90; 90 | 67.7282 | Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B, 2010, 66, 280-291 |
2108328 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0763; 4.0763; 4.0763 90; 90; 90 | 67.733 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2104717 | CIF Paper | O3 Pb Sc0.5 Ta0.5 | P m -3 m | 4.07639; 4.07639; 4.07639 90; 90; 90 | 67.7372 | Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B, 2010, 66, 280-291 |
2100227 | CIF Paper | Li2 O2 | P 63/m m c | 3.183; 3.183; 7.7258 90; 90; 120 | 67.787 | Luis Guillermo Cota; Pablo de la Mora On the structure of lithium peroxide, Li~2~O~2~ Acta Crystallographica Section B, 2005, 61, 133-136 |
2310043 | CIF Paper | Bi12 Fe10 O52 Sr18 | X2/m(\a0\g)0s | 3.6174; 5.48; 3.4641 90; 81.2438; 90 | 67.87 | Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds Acta Crystallographica Section B, 2012, 68, 341-355 |
2104716 | CIF Paper | O3 Pb Sc0.5 Ta0.5 | P m -3 m | 4.08028; 4.08028; 4.08028 90; 90; 90 | 67.9313 | Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B, 2010, 66, 280-291 |
2104727 | CIF Paper | Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 | P m -3 m | 4.08121; 4.08121; 4.08121 90; 90; 90 | 67.9778 | Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B, 2010, 66, 280-291 |
2104715 | CIF Paper | O3 Pb Sc0.5 Ta0.5 | P m -3 m | 4.08125; 4.08125; 4.08125 90; 90; 90 | 67.9798 | Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B, 2010, 66, 280-291 |
2106407 | CIF | N Ta | P -6 2 m | 5.196; 5.196; 2.911 90; 90; 120 | 68.063 | Norlund Christensen, A.; Lebech, B. A reinvestigation of the structure of epsilon-tantalum nitride Acta Crystallographica B (24,1968-38,1982), 1978, 34, 261-263 |
2104726 | CIF Paper | Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 | P m -3 m | 4.08373; 4.08373; 4.08373 90; 90; 90 | 68.1038 | Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B, 2010, 66, 280-291 |
2310038 | CIF Paper | Bi14 Fe12 O61 Sr21 | X2/m(\a0\g)0s | 3.5905; 5.4903; 3.4954 90; 81.8989; 90 | 68.217 | Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds Acta Crystallographica Section B, 2012, 68, 341-355 |
2102946 | CIF Paper | O3 Pb Ti0.35 Zr0.65 | P m -3 m | 4.09836; 4.09836; 4.09836 90; 90; 90 | 68.8383 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
2102003 | CIF Paper | Hf0.8 O3 Pb Ti0.2 | P m -3 m | 4.1072; 4.1072; 4.1072 90; 90; 90 | 69.285 | Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B, 2000, 56, 27-38 |
2102948 | CIF Paper | Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65 | P m -3 m | 4.10755; 4.10755; 4.10755 90; 90; 90 | 69.3024 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
2103615 | CIF HKL Paper | F2 Zn | P 42/m n m | 4.7038; 4.7038; 3.1336 90; 90; 90 | 69.33 | O'Toole, Nicholas J.; Streltsov, Victor A. Synchrotron X-ray analysis of the electron density in CoF~2~ and ZnF~2~ Acta Crystallographica Section B, 2001, 57, 128-135 |
9007539 | CIF | F2 Zn | P 42/m n m | 4.7048; 4.7048; 3.1338 90; 90; 90 | 69.367 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2102950 | CIF Paper | Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65 | P m -3 m | 4.11161; 4.11161; 4.11161 90; 90; 90 | 69.5082 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
2102951 | CIF Paper | Ba0.3 O3 Pb0.7 Ti0.35 Zr0.65 | P m -3 m | 4.11241; 4.11241; 4.11241 90; 90; 90 | 69.5487 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
2102952 | CIF Paper | Ba0.4 O3 Pb0.6 Ti0.35 Zr0.65 | P m -3 m | 4.11604; 4.11604; 4.11604 90; 90; 90 | 69.7331 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
2106894 | CIF | F3 Fe K | P m -3 m | 4.1198; 4.1198; 4.1198 90; 90; 90 | 69.924 | Miyata, N.; Marumo, F.; Tanaka, K. Electron density distribution in crystals of iron(II) potassium trifluoride Acta Crystallographica B (39,1983-), 1983, 39, 561-564 |
9011217 | CIF | O Sn | P 4/n m m :1 | 3.8029; 3.8029; 4.8382 90; 90; 90 | 69.97 | Pannetier, J.; Denes, G. Tin(II) oxide: structure refinement and thermal expansion Acta Crystallographica, Section B, 1980, 36, 2763-2765 |
9007537 | CIF | Co F2 | P 42/m n m | 4.6954; 4.6954; 3.1774 90; 90; 90 | 70.051 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2103614 | CIF HKL Paper | Co F2 | P 42/m n m | 4.6956; 4.6956; 3.1793 90; 90; 90 | 70.099 | O'Toole, Nicholas J.; Streltsov, Victor A. Synchrotron X-ray analysis of the electron density in CoF~2~ and ZnF~2~ Acta Crystallographica Section B, 2001, 57, 128-135 |
2100986 | CIF Paper | Co F2 | P 42/m n m | 4.695; 4.695; 3.1817 90; 90; 90 | 70.1 | Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R. Charge densities of two rutile structures: NiF~2~ and CoF~2~ Acta Crystallographica Section B, 1993, 49, 591-599 |
2100987 | CIF Paper | Co F2 | P 42/m n m | 4.695; 4.695; 3.1817 90; 90; 90 | 70.1 | Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R. Charge densities of two rutile structures: NiF~2~ and CoF~2~ Acta Crystallographica Section B, 1993, 49, 591-599 |
2104763 | CIF Paper | B6 Sm | P m -3 m | 4.1325; 4.1325; 4.1325 90; 90; 90 | 70.573 | Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K Acta Crystallographica Section B, 2010, 66, 292-306 |
2104762 | CIF Paper | B6 Sm | P m -3 m | 4.1327; 4.1327; 4.1327 90; 90; 90 | 70.583 | Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K Acta Crystallographica Section B, 2010, 66, 292-306 |
2104764 | CIF Paper | B6 Sm | P m -3 m | 4.1338; 4.1338; 4.1338 90; 90; 90 | 70.64 | Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K Acta Crystallographica Section B, 2010, 66, 292-306 |
2104765 | CIF Paper | B6 Sm | P m -3 m | 4.1346; 4.1346; 4.1346 90; 90; 90 | 70.681 | Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K Acta Crystallographica Section B, 2010, 66, 292-306 |
2103133 | CIF Paper | B6 Ce | P m -3 m | 4.1367; 4.1367; 4.1367 90; 90; 90 | 70.788 | Tanaka, Kiyoaki; Ōnuki, Yoshichika Observation of 4<i>f</i> electron transfer from Ce to B~6~ in the Kondo crystal CeB~6~ and its mechanism by multi-temperature X-ray diffraction Acta Crystallographica, Section B: Structural Science, 2002, 58, 423-436 |
2103134 | CIF Paper | B6 Ce | P m -3 m | 4.1381; 4.1381; 4.1381 90; 90; 90 | 70.862 | Tanaka, Kiyoaki; Ōnuki, Yoshichika Observation of 4<i>f</i> electron transfer from Ce to B~6~ in the Kondo crystal CeB~6~ and its mechanism by multi-temperature X-ray diffraction Acta Crystallographica, Section B: Structural Science, 2002, 58, 423-436 |
2101693 | CIF Paper | B6 Ce | P m -3 m | 4.13814; 4.13814; 4.13814 90; 90; 90 | 70.8623 | Tanaka, K.; Kato, Y.; Onuki, Y. 4<i>f</i>-Electron Density Distribution in Crystals of CeB~6~ at 165 K and its Analysis Based on the Crystal Field Theory Acta Crystallographica Section B, 1997, 53, 143-152 |
1008957 | CIF | Cr0.5 N V0.5 | F m -3 m | 4.139; 4.139; 4.139 90; 90; 90 | 70.9 | Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J Etude cristallographique de Cr(1-x) V(x) N a basse temperature Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3010-3013 |
2103135 | CIF Paper | B6 Ce | P m -3 m | 4.1391; 4.1391; 4.1391 90; 90; 90 | 70.914 | Tanaka, Kiyoaki; Ōnuki, Yoshichika Observation of 4<i>f</i> electron transfer from Ce to B~6~ in the Kondo crystal CeB~6~ and its mechanism by multi-temperature X-ray diffraction Acta Crystallographica, Section B: Structural Science, 2002, 58, 423-436 |
2103136 | CIF Paper | B6 Ce | P m -3 m | 4.1407; 4.1407; 4.1407 90; 90; 90 | 70.996 | Tanaka, Kiyoaki; Ōnuki, Yoshichika Observation of 4<i>f</i> electron transfer from Ce to B~6~ in the Kondo crystal CeB~6~ and its mechanism by multi-temperature X-ray diffraction Acta Crystallographica, Section B: Structural Science, 2002, 58, 423-436 |
2104215 | CIF HKL Paper | B6 Ce | P m -3 m | 4.14288; 4.14288; 4.14288 90; 90; 90 | 71.1061 | Makita, Ryoko; Tanaka, Kiyoaki; Ōnuki, Yoshichika 5<i>d</i> and 4<i>f</i> electron configuration of CeB~6~ at 340 and 535K Acta Crystallographica Section B, 2008, 64, 534-549 |
2106320 | CIF | O3 Pb Ti0.1 Zr0.9 | P m -3 m | 4.1449; 4.1449; 4.1449 90; 90; 90 | 71.21 | Glazer, A.M.; Mabud, S.A.; Clarke, R. Powder profile refinement of lead zirconate titanate at several temperatures. I. Pb Zr0.9 Ti0.1 O3 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1060-1065 |
2102953 | CIF HKL Paper | B6 Ce | P m -3 m | 4.14586; 4.14586; 4.14586 90; 90; 90 | 71.26 | Ryoko, Makita; k̄iyoaki, Tanaka; Ōnuki, Yoshichika; H̄iroshi, Tatewaki Inversion of 4<i>f</i>-states in CeB~6~ thermally excited at 430K Acta Crystallographica Section B, 2007, 63, 683-692 |
1008958 | CIF | Cr0.9375 N V0.0625 | F m -3 m | 4.1465; 4.1465; 4.1465 90; 90; 90 | 71.3 | Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J Etude cristallographique de Cr(1-x) V(x) N a basse temperature Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3010-3013 |
1008956 | CIF | Cr N | F m -3 m | 4.148; 4.148; 4.148 90; 90; 90 | 71.4 | Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J Etude cristallographique de Cr(1-x) V(x) N a basse temperature Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3010-3013 |
2104216 | CIF HKL Paper | B6 Ce | P m -3 m | 4.14918; 4.14918; 4.14918 90; 90; 90 | 71.431 | Makita, Ryoko; Tanaka, Kiyoaki; Ōnuki, Yoshichika 5<i>d</i> and 4<i>f</i> electron configuration of CeB~6~ at 340 and 535K Acta Crystallographica Section B, 2008, 64, 534-549 |
2104743 | CIF Paper | O2 Sn | P 42/m n m | 4.7357; 4.7357; 3.18732 90; 90; 90 | 71.482 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
2104754 | CIF Paper | O2 Sn | P 42/m n m | 4.73576; 4.73576; 3.18726 90; 90; 90 | 71.482 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
1000062 | CIF | O2 Sn | P 42/m n m | 4.738; 4.738; 3.1865 90; 90; 90 | 71.5 | Baur, W H; Khan, A A Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other Rutile-Type Structures Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2133-2139 |
2101853 | CIF Paper | O2 Sn | P 42/m n m | 4.73735; 4.73735; 3.1864 90; 90; 90 | 71.511 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural Studies of Rutile-Type Metal Dioxides Acta Crystallographica Section B, 1997, 53, 373-380 |
9007533 | CIF | O2 Sn | P 42/m n m | 4.738; 4.738; 3.1865 90; 90; 90 | 71.533 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
2106431 | CIF | O2 | R -3 m :H | 2.8467; 2.8467; 10.2249 90; 90; 120 | 71.758 | Schiferl, D.; Cromer, D.T.; Mills, R.L. Structure of O2 at 5*5 GPa and 299 K Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1329-1332 |
2104736 | CIF Paper | B6 La | P m -3 m | 4.15706; 4.15706; 4.15706 90; 90; 90 | 71.8388 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
2104747 | CIF Paper | B6 La | P m -3 m | 4.15706; 4.15706; 4.15706 90; 90; 90 | 71.8388 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
9011287 | CIF | Au Te2 | P -3 m 1 | 4.078; 4.078; 5 90; 90; 120 | 72.01 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
2106144 | CIF | Cd2 Y | P -3 m 1 | 4.882; 4.882; 3.501 90; 90; 120 | 72.263 | Elmendorf, R.; Ryba, E. A note on the structure of Y Cd2 Acta Crystallographica B (24,1968-38,1982), 1968, 24, 462-463 |
9007536 | CIF | F2 Fe | P 42/m n m | 4.6945; 4.6945; 3.3097 90; 90; 90 | 72.94 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
9011286 | CIF | Au Te2 | P -3 m 1 | 4.1; 4.1; 5.021 90; 90; 120 | 73.095 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 3.72 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
2107291 | CIF HKL Paper | B V | C m c m | 3.0616; 8.0495; 2.9733 90; 90; 90 | 73.275 | Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~ Acta Crystallographica Section B, 2015, 71, 777-787 |
2102560 | CIF Paper | F3 K Mn | P m -3 m | 4.185; 4.185; 4.185 90; 90; 90 | 73.3 | Ivanov, Yury; Tanaka, Kiyoaki Electron density and electrostatic potential of KMnF~3~: A phase transition study Acta Crystallographica, Section B, 2004, 60, 359-368 |
2102839 | CIF Paper | Ce0.5 O2 Zr0.5 | P 42/n m c :1 | 3.7191; 3.7191; 5.3057 90; 90; 90 | 73.387 | Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B, 2007, 63, 384-389 |
2102561 | CIF Paper | F3 K Mn | P m -3 m | 4.1869; 4.1869; 4.1869 90; 90; 90 | 73.4 | Ivanov, Yury; Tanaka, Kiyoaki Electron density and electrostatic potential of KMnF~3~: A phase transition study Acta Crystallographica, Section B, 2004, 60, 359-368 |
2102562 | CIF Paper | F3 K Mn | P m -3 m | 4.1893; 4.1893; 4.1893 90; 90; 90 | 73.52 | Ivanov, Yury; Tanaka, Kiyoaki Electron density and electrostatic potential of KMnF~3~: A phase transition study Acta Crystallographica, Section B, 2004, 60, 359-368 |
2102840 | CIF Paper | Ce0.5 O2 Zr0.5 | P 42/n m c :1 | 3.7286; 3.7286; 5.3215 90; 90; 90 | 73.982 | Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B, 2007, 63, 384-389 |
9011089 | CIF | Ga | C 1 2/c 1 | 2.766; 8.053; 3.332 90; 92.02; 90 | 74.173 | Bosio, L.; Defrain, A.; Curien, H.; Rimsky, A. Structure cristalline du gallium-beta Sample: at T = 248.15 K Note: structure known as beta phase Acta Crystallographica, Section B, 1969, 25, 995-995 |
2102841 | CIF Paper | Ce0.5 O2 Zr0.5 | P 42/n m c :1 | 3.7386; 3.7386; 5.3381 90; 90; 90 | 74.611 | Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B, 2007, 63, 384-389 |
2100976 | CIF Paper | B Mg3 N3 | P m m m | 3.0933; 3.1336; 7.7005 90; 90; 90 | 74.642 | Hiraguchi, H.; Hashizume, H.; Sasaki, S.; Nakano, S.; Fukunaga, O. Structure of a high-pressure polymorph of Mg~3~BN~3~ determined from X-ray powder data Acta Crystallographica Section B, 1993, 49, 478-483 |
2105386 | CIF | Ag3 Tm | P m -3 m | 4.2117; 4.2117; 4.2117 90; 90; 90 | 74.709 | Venteicher, R.F.; McMasters, O.D.; Gschneidner, K.A.jr. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1224-1229 |
2102842 | CIF Paper | Ce0.5 O2 Zr0.5 | P 42/n m c :1 | 3.7503; 3.7503; 5.3564 90; 90; 90 | 75.336 | Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B, 2007, 63, 384-389 |
2102843 | CIF Paper | Ce0.5 O2 Zr0.5 | P 42/n m c :1 | 3.764; 3.764; 5.3745 90; 90; 90 | 76.144 | Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B, 2007, 63, 384-389 |
2102844 | CIF Paper | Ce0.5 O2 Zr0.5 | P 42/n m c :1 | 3.7781; 3.7781; 5.3833 90; 90; 90 | 76.841 | Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B, 2007, 63, 384-389 |
9007535 | CIF | F2 Mn | P 42/m n m | 4.8738; 4.8738; 3.3107 90; 90; 90 | 78.642 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
9014580 | CIF | Cu O | C 1 2/c 1 | 4.6837; 3.4226; 5.1288 90; 99.54; 90 | 81.08 | Asbrink, S.; Norrby, L. J. A refinement of the crystal structure of copper(II) oxide, with a discussion of some exceptional E.s.d.'s Acta Crystallographica, Section B, 1970, 26, 8-15 |
2104027 | CIF Paper | Ge O2 | P a -3 | 4.3365; 4.3365; 4.3365 90; 90; 90 | 81.55 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
2106561 | CIF | H Lu O2 | P 1 21/m 1 | 5.836; 3.552; 4.247 90; 109.33; 90 | 83.075 | Milligan, W.O.; Mullica, D.F.; Hall, M.A. Structural Refinement of Lutetium Hydroxide Oxide Acta Crystallographica B (24,1968-38,1982), 1980, 36, 3086-3088 |
9007543 | CIF | O2 Pb | P 42/m n m | 4.9568; 4.9568; 3.3866 90; 90; 90 | 83.208 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Leciejewicz and Padlo (1962) Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
9014175 | CIF | O2 Pb | P 42/m n m | 4.9577; 4.9577; 3.3879 90; 90; 90 | 83.27 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
9011216 | CIF | O2 Pb | P 42/m n m | 4.9578; 4.9578; 3.3878 90; 90; 90 | 83.271 | D'Antonio P; Santoro, A. Powder neutron diffraction study of chemically prepared B-lead dioxide Acta Crystallographica, Section B, 1980, 36, 2394-2397 |
2106153 | CIF | Co5.661 Sm0.666 | P 6/m m m | 4.8562; 4.8562; 4.0813 90; 90; 120 | 83.353 | Khan, Y. The crystal structure of R2 Co17 intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2502-2507 |
2106877 | CIF | O2 | F m m m | 4.2151; 2.9567; 6.6897 90; 90; 90 | 83.372 | Schiferl, D.; Cromer, D.T.; Schwalbe, L.A.; Mills, R.L. Structure of 'Orange' 18O2 at 9.6 GPa and 297 K Acta Crystallographica B (39,1983-), 1983, 39, 153-157 |
2106135 | CIF | Cd3 Zr | P 4/m m m | 4.4151; 4.4151; 4.307 90; 90; 90 | 83.957 | Arunsingh; Dayal, B. On the crystal structure of Cd-Zr intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1010-1011 |
2107102 | CIF | H O2 Yb | P 1 21/m 1 | 5.87; 3.58; 4.27 90; 109.3; 90 | 84.689 | Norlund Christensen, A.; Lebech, B. Magnetic transition temperature of terbium hydroxide oxide. structure of ytterbium hydroxide oxide Acta Crystallographica B (24,1968-38,1982), 1981, 37, 425-427 |
2106038 | CIF | Cu5.439 Tb0.777 | P 6/m m m | 4.942; 4.942; 4.164 90; 90; 120 | 88.074 | Buschow, K.H.J.; van der Goot, A.S. Composition and crystal structure of hexagonal Cu-rich rare earth-copper compunds Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1085-1088 |
2106139 | CIF | Cu5 Y | P 6/m m m | 5.005; 5.005; 4.097 90; 90; 120 | 88.88 | Buschow, K.H.J.; van der Goot, A.S. Compositon abd crystal structure of hexagonal Cu-rich rare earth-copper compounds Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1085-1088 |
2106138 | CIF | Cu5 Tb | P 6/m m m | 5.03; 5.03; 4.09 90; 90; 120 | 89.617 | Buschow, K.H.J.; van der Goot, A.S. Composition and crystal structure of hexagonal Cu-rich rare earth-copper compounds Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1085-1088 |
2310050 | CIF Paper | Ag0.034 In0.037 Sb0.764 Te0.165 | R-3m(00\g)00 | 4.3037; 4.3037; 5.6452 90; 90; 120 | 90.551 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
2310058 | CIF Paper | Sb0.89 Te0.11 | R-3m(00\g)00 | 4.29686; 4.29686; 5.6759 90; 90; 120 | 90.754 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
2104024 | CIF Paper | Ge O2 | P b c n | 4.0519; 5.0269; 4.5223 90; 90; 90 | 92.11 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
2310057 | CIF Paper | Sb0.87 Te0.13 | R-3m(00\g)00 | 4.3181; 4.3181; 5.7267 90; 90; 120 | 92.474 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
1008015 | CIF | Mn2 N0.86 | P 63 2 2 | 4.8551; 4.8551; 4.5326 90; 90; 120 | 92.5 | Eddine, M N; Bertaut, E F; Maunaye, M Structure cristallographique de Mn~2~ N~0.86~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2696-2698 |
2108929 | CIF HKL | Cs N O3 | P m -3 m | 4.5226; 4.5226; 4.5226 90; 90; 90 | 92.5 | Fábry, Jan; Kučeráková, Monika; Dušek, Michal; Buixaderas, Elena; Hlinka, Jiří Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data Acta Crystallographica Section B, 2022, 78 |
2310028 | CIF Paper | Sb8 Te3 | R-3m(00\g) | 4.3134; 4.3134; 5.8658 90; 90; 120 | 94.514 | Kifune, Kouichi; Fujita, Tomoko; Kubota, Yoshiki; Yamada, Noboru; Matsunaga, Toshiyuki Crystallization of the chalcogenide compound Sb~8~Te~3~ Acta Crystallographica Section B, 2011, 67, 381-385 |
2106735 | CIF | Ca Ga N | P 4/n m m :1 | 3.57; 3.57; 7.558 90; 90; 90 | 96.326 | Verdier, P.; l'Haridon, P.; Marchand, R.; Maunaye, M. Etude structurale de Ca Ga N Acta Crystallographica B (24,1968-38,1982), 1974, 30, 226-228 |
2106402 | CIF | La2 O2 S | P -3 m 1 | 4.049; 4.049; 6.939 90; 90; 120 | 98.52 | Morosin, B.; Newman, D.J. La2 O2 S structure refinement and crystal field Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2647-2648 |
2106692 | CIF | Cl O V | P m m n :1 | 3.78; 3.3; 7.91 90; 90; 90 | 98.669 | Haase, A.; Brauer, G. Vanadium oxychloride Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2521-2522 |
2106221 | CIF | Na2 S | P 63/m m c | 4.4269; 4.4269; 5.815 90; 90; 120 | 98.692 | Vegas, A.; Grzechnik, A.; Jansen, M.; Hanfland, M.; Loa, I.; Syassen, K. Reversible phase transitions in Na2 S under pressure: a comparison with the cation array in Na2 S O4 Acta Crystallographica B (39,1983-), 2001, 57, 151-156 |
2310031 | CIF Paper | Ga0.889 O4.222 Zn2.889 | C2/m(\a0\g)00 | 19.66; 3.2487; 1.6065 90; 105.9; 90 | 98.7 | Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao Structure of (Ga~2~O~3~)~2~(ZnO)~13~ and a unified description of the homologous series (Ga~2~O~3~)~2~(ZnO)~2~~<i>n~+1</i> Acta Crystallographica Section B, 2012, 68, 250-260 |
2106381 | CIF | Cl Fe O | P m n m :2 | 3.78; 7.917; 3.302 90; 90; 90 | 98.817 | Lind, M.D. Refinement of the crystal structure of iron oxychloride Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1058-1062 |
2105341 | CIF | Ag Fe O2 | P 63/m m c | 3.039; 3.039; 12.395 90; 90; 120 | 99.138 | Okamoto, S.; Okamoto, S.I.; Ito, T. The crystal structure of a new hexagonal phase of Ag Fe O2 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1774-1777 |
2104270 | CIF HKL Paper | Pb S | Bmmm(0\b0)s00 | 13.737; 1.7496; 4.1448 90; 90; 90 | 99.617 | Elcoro, Luis; Perez-Mato, J. M.; Friese, Karen; Petříček, Václav; Balić-Žunić, Tonči; Olsen, Lars Arnskov Modular crystals as modulated structures: the case of the lillianite homologous series Acta Crystallographica Section B, 2008, 64, 684-701 |
2106851 | CIF | F6 Li2 Zr | P -3 1 m | 4.9733; 4.9733; 4.658 90; 90; 120 | 99.774 | Brunton, G. Li2 Zr F6 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2294-2296 |
2106531 | CIF | Cs H O3 S | R 3 m :R | 4.6721; 4.6721; 4.6721 85.31; 85.31; 85.31 | 101.013 | Johansson, L.G.; Lindqvist, O.; Vannerberg, N.G. The structure of cesium hydrogensulfite Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2523-2526 |
2106172 | CIF | Cr3.14 Ru0.86 | P m -3 n | 4.6768; 4.6768; 4.6768 90; 90; 90 | 102.293 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2106169 | CIF | Cr2.919 Ir1.081 | P m -3 n | 4.681; 4.681; 4.681 90; 90; 90 | 102.569 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2106170 | CIF | Cr3 Os | P m -3 n | 4.6842; 4.6842; 4.6842 90; 90; 90 | 102.779 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2100455 | CIF Paper | Ce In3 | P m -3 m | 4.69074; 4.69074; 4.69074 90; 90; 90 | 103.211 | E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B, 2006, 62, 173-189 |
9011173 | CIF | Ca Cl F | P 4/n m m :2 | 3.894; 3.894; 6.818 90; 90; 90 | 103.383 | Liebich, W.; Nicollin, D. Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure Acta Crystallographica, Section B, 1977, 33, 2790-2794 |
2101996 | CIF Paper | N Na O2 | I m 2 m | 3.5024; 5.5209; 5.3789 90; 90; 90 | 104.01 | Gohda, Takashi X-ray study of deformation density and spontaneous polarization in ferroelectric NaNO~2~ Acta Crystallographica Section B, 2000, 56, 11-16 |
2106355 | CIF | O2 Si | P 32 2 1 | 4.765; 4.765; 5.296 90; 90; 120 | 104.137 | d'Amour, H.; Denner, W.; Schulz, H. Structure determination of alpha-quartz up to 68*10exp8 Pa Acta Crystallographica B (24,1968-38,1982), 1979, 35, 550-555 |
2106171 | CIF | Cr3.16 Pt0.84 | P m -3 n | 4.7058; 4.7058; 4.7058 90; 90; 90 | 104.208 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
9007672 | CIF | As Fe | P n a m | 5.39; 5.928; 3.2662 90; 90; 90 | 104.361 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 8.3 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
9007666 | CIF | As Co | P n a m | 5.2575; 5.7782; 3.4453 90; 90; 90 | 104.664 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.90 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
9007665 | CIF | As Co | P n a m | 5.2631; 5.801; 3.4569 90; 90; 90 | 105.543 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 3.70 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
9007671 | CIF | As Fe | P n a m | 5.403; 5.9488; 3.2902 90; 90; 90 | 105.752 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 6.10 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
9007664 | CIF | As Co | P n a m | 5.2675; 5.815; 3.4623 90; 90; 90 | 106.052 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.80 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
2104141 | CIF Paper | Er2 Ge3 | X2/m(\a0\g)0s | 3.8901; 6.6544; 4.098 90; 89.74; 90 | 106.08 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
9007513 | CIF | Al H3 O3 | P -1 | 5.114; 5.082; 5.127 70.27; 74; 58.47 | 106.089 | Bosmans, H. J. Unit cell and crystal structure of nordstrandite, Al(OH)3 Acta Crystallographica, Section B, 1970, 26, 649-652 |
9007660 | CIF | Mo S2 | P 63/m m c | 3.161; 3.161; 12.295 90; 90; 120 | 106.392 | Schonfeld, B.; Huang, J. J.; Moss, S. C. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 2H polytype, this is the most common in nature Acta Crystallographica, Section B, 1983, 39, 404-407 |
9007670 | CIF | As Fe | P n a m | 5.411; 5.9671; 3.3122 90; 90; 90 | 106.944 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.36 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
2101868 | CIF Paper | Li2 Mo O3 | R -3 m :H | 2.878; 2.878; 14.9119 90; 90; 120 | 107 | Hibble, S. J.; Fawcett, I. D.; Hannon, A. C. Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering Acta Crystallographica Section B, 1997, 53, 604-612 |
9007655 | CIF | Fe S | P n m a | 5.65; 3.3155; 5.7426 90; 90; 90 | 107.574 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 6.35 GPa, MnP-type structure Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
2104140 | CIF Paper | Er2 Ge3.122 | X2/m(\a0\g)0s | 3.9113; 6.729; 4.0912 90; 89.805; 90 | 107.676 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
2104139 | CIF Paper | Er2 Ge3.125 | X2/m(\a0\g)0s | 3.9117; 6.7296; 4.09129 90; 89.805; 90 | 107.699 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
2104138 | CIF Paper | Er2 Ge3.14 | X2/m(\a0\g)0s | 3.9142; 6.7363; 4.0917 90; 89.81; 90 | 107.886 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
9007662 | CIF | As Co | P n a m | 5.2857; 5.8675; 3.4883 90; 90; 90 | 108.186 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
9007663 | CIF | As Co | P n a 21 | 5.2857; 5.8675; 3.4883 90; 90; 90 | 108.186 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
2104137 | CIF Paper | Er2 Ge3.171 | X2/m(\a0\g)0s | 3.9183; 6.7475; 4.0932 90; 89.813; 90 | 108.218 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
2104136 | CIF Paper | Er2 Ge3.182 | X2/m(\a0\g)0s | 3.9198; 6.7518; 4.0941 90; 89.813; 90 | 108.353 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
2104135 | CIF Paper | Er2 Ge3.186 | X2/m(\a0\g)0s | 3.9203; 6.7532; 4.09406 90; 89.813; 90 | 108.388 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
2104134 | CIF Paper | Er2 Ge3.188 | X2/m(\a0\g)0s | 3.9206; 6.7543; 4.09383 90; 89.813; 90 | 108.408 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
2104133 | CIF Paper | Er2 Ge3.188 | X2/m(\a0\g)0s | 3.9208; 6.7547; 4.0945 90; 89.811; 90 | 108.437 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
9007669 | CIF | As Fe | P n a m | 5.424; 5.9948; 3.3386 90; 90; 90 | 108.557 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.25 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
2106128 | CIF | Rh V3 | P m -3 n | 4.7852; 4.7852; 4.7852 90; 90; 90 | 109.572 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2101869 | CIF Paper | Li4 Mo3 O8 | R -3 m :H | 2.8688; 2.8688; 15.3843 90; 90; 120 | 109.65 | Hibble, S. J.; Fawcett, I. D.; Hannon, A. C. Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering Acta Crystallographica Section B, 1997, 53, 604-612 |
2106130 | CIF | Ir V3 | P m -3 n | 4.7876; 4.7876; 4.7876 90; 90; 90 | 109.737 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
9013392 | CIF | Mo Ni P | P -6 2 m | 5.861; 5.861; 3.704 90; 90; 120 | 110.191 | Guerin, R.; Sergent, M. Structure cristalline de NiMoP Localite: synthetic Acta Crystallographica, Section B, 1977, 33, 2820-2823 |
9007667 | CIF | As Fe | P n a 21 | 5.4401; 6.0259; 3.3712 90; 90; 90 | 110.513 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
9007668 | CIF | As Fe | P n a m | 5.4401; 6.0259; 3.3712 90; 90; 90 | 110.513 | Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20 |
9007654 | CIF | Fe S | P n m a | 5.716; 3.347; 5.797 90; 90; 90 | 110.905 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 4.15 GPa, MnP-type structure Note: a cell edge altered from value reported Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
2106127 | CIF | Pd V3 | P m -3 n | 4.8254; 4.8254; 4.8254 90; 90; 90 | 112.357 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2105346 | CIF | Ag N O2 | I m m 2 | 3.528; 6.172; 5.181 90; 90; 90 | 112.815 | Saito, Y.; Ohba, S. Structure of silver(I) nitrite, a redetermination Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1911-1913 |
2100188 | CIF Paper | O2 Si | P 32 2 1 | 4.91427; 4.91427; 5.4058 90; 90; 120 | 113.06 | Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B, 2005, 61, 129-132 |
2105416 | CIF | B Li3 N2 | P 42/m n m | 4.6435; 4.6435; 5.2592 90; 90; 90 | 113.399 | Penzo, M.; Cenzual, K.; Gelato, L.M.; Parthe, E. Inorganic structure types with revised space groups.I. Acta Crystallographica B (39,1983-), 1991, 47, 433-439 |
2106930 | CIF | As0.26 In1.72 S3 | P -3 m 1 | 3.806; 3.806; 9.044 90; 90; 120 | 113.456 | Diehl, R.; Carpentier, C.D.; Nitsche, R. The crystal structure of gamma-In2 S3 stabilized by As or Sb Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1257-1260 |
2106935 | CIF | Bi Se | P m 2 m | 3.135; 2.984; 12.174 90; 90; 90 | 113.886 | Petricek, V.; Cisarova, I.; de Boer, J.L.; van Smaalen, S.; Meetsma, A.; Zhou, W.; Wiegers, A. The modulated structure of the commensurate misfit-layer (Bi Se)1.09 Ta Se2 Acta Crystallographica B (39,1983-), 1993, 49, 258-266 |
2101576 | CIF Paper | Ba Cu Fe O5 Y | P 4 m m | 3.865; 3.865; 7.6425 90; 90; 90 | 114.17 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2103983 | CIF Paper | Na0.74 O3 W | P 4/m b m | 5.44556; 5.445564; 3.85598 90; 90; 90 | 114.346 | Darlington, C. N. W.; Hriljac, J. A.; Knight, K. S. Structures of Na~0.74~WO~3~ Acta Crystallographica Section B, 2003, 59, 584-587 |
2310778 | CIF Paper | Cu3.022 Sn0.978 | P m m a (2*b+1/4,c,a-1/3) | 5.523; 4.783; 4.336 90; 90; 90 | 114.54 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310776 | CIF Paper | Cu3.027 Sn0.973 | P m m a (2*b+1/4,c,a-1/3) | 5.525; 4.781; 4.3385 90; 90; 90 | 114.6 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310775 | CIF Paper | Cu3.048 Sn0.952 | P m m a (2*b+1/4,c,a-1/3) | 5.528; 4.783; 4.3391 90; 90; 90 | 114.73 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310777 | CIF Paper | Cu3.031 Sn0.969 | P m m a (2*b+1/4,c,a-1/3) | 5.529; 4.787; 4.3381 90; 90; 90 | 114.82 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310779 | CIF Paper | Cu3.013 Sn0.987 | P m m a (2*b,c,a) | 5.529; 4.788; 4.3411 90; 90; 90 | 114.92 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2106931 | CIF | In1.88 S3 Sb0.112 | P -3 m 1 | 3.831; 3.831; 9.049 90; 90; 120 | 115.015 | Diehl, R.; Carpentier, C.D.; Nitsche, R. The crystal structure of gamma-In2 S3 stabilized by As Or Sb Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1257-1260 |
2107248 | CIF | O7 V4 | P -1 | 5.504; 7.007; 10.243 41.3; 72.5; 109.4 | 115.016 | Horiuchi, H.; Tokonami, M.; Nagasawa, K.; Morimoto, N. The crystal structure of V4 O7 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1404-1410 |
2107218 | CIF | C2 B2 La | P -4 2 c | 3.8218; 3.8218; 7.9237 90; 90; 90 | 115.735 | Bauer, J.; Bars, O. The ordering of boron and carbon atoms in the La B2 C2 structure Acta Crystallographica B (24,1968-38,1982), 1980, 36, 1540-1544 |
1008281 | CIF | Nb2 O6 U0.5 | P 4/m m m | 3.856; 3.856; 7.796 90; 90; 90 | 115.9 | Labeau, M; Grey, I E; Coubert, J C; Chenevas, J; Collomb, A; Guitel, J C The structure of the a-cation deficient Perovskite U Nb~4~ O~12~ Acta Crystallographica B (24,1968-38,1982), 1985, 41, 33-41 |
2105389 | CIF | Au V3 | P m -3 n | 4.8807; 4.8807; 4.8807 90; 90; 90 | 116.264 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2107121 | CIF | Ag3 I S | R 3 :R | 4.882; 4.882; 4.882 90; 90; 90 | 116.357 | Perenthaler, E.; Beyeler, H.U.; Schulz, H. Structures and phase transition of beta- and gamma-Ag3 I S Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1017-1023 |
2101549 | CIF Paper | Cl La O | P 4/n m m :2 | 4.1198; 4.1198; 6.8831 90; 90; 90 | 116.83 | E. N. Maslen; V. A. Streltsov; N. R. Streltsova; N. Ishizawa Synchrotron X-ray electron density in the layered LaOCl structure Acta Crystallographica Section B, 1996, 52, 576-579 |
2100714 | CIF Paper | C6 H5 O2 | P -1 | 3.7615; 5.6996; 5.9065 110.8; 91.164; 91.443 | 118.28 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
2106969 | CIF | Pt Si | P b n m | 5.916; 5.577; 3.587 90; 90; 90 | 118.348 | Graeber, E.J.; Baughman, R.J.; Morosin, B. Crystal structure and linear thermal expansivities of platinum silicide and platinum germanide Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1991-1994 |
9013892 | CIF | Cl F Sr | P 4/n m m :2 | 4.1259; 4.1259; 6.9579 90; 90; 90 | 118.445 | Sauvage, M. Refinement of the structures of SrFCl and BaFCl Note: matlockite structure Acta Crystallographica, Section B, 1974, 30, 2786-2787 |
2107540 | CIF HKL Paper | In1.95 S3 | P -3 m 1 | 3.86564; 3.86564; 9.1569 90; 90; 120 | 118.501 | Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B, 2016, 72, 410-415 |
2103296 | CIF Paper | Bi0.5 Na0.5 O3 Ti | P 4 b m | 5.5179; 5.5179; 3.9073 90; 90; 90 | 118.966 | Jones, G. O.; Thomas, P. A. Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~ Acta Crystallographica Section B, 2002, 58, 168-178 |
2104170 | CIF Paper | Al0.256 In1.044 O3.35 Ti0.7 | C2/m(0\b0)s0 | 5.857; 3.361; 6.355 90; 107.96; 90 | 119 | Bereciartua, P. J.; Zuñiga, F. J.; Breczewski, T. Incommensurate structure of InAl~1{-~<i>x</i>}Ti~<i>x~</i>O~3+<i>x~/2</i> [<i>x</i> = 0.701(1)]: comparison between modulated and composite models Acta Crystallographica Section B, 2008, 64, 405-416 |
2104171 | CIF HKL Paper | Al0.253 In1.046 O3.35 Ti0.701 | C2/m(0\b0)s0 | 5.857; 3.361; 6.355 90; 107.96; 90 | 119 | Bereciartua, P. J.; Zuñiga, F. J.; Breczewski, T. Incommensurate structure of InAl~1{-~<i>x</i>}Ti~<i>x~</i>O~3+<i>x~/2</i> [<i>x</i> = 0.701(1)]: comparison between modulated and composite models Acta Crystallographica Section B, 2008, 64, 405-416 |
2102068 | CIF Paper | Bi0.5 Na0.5 O3 Ti | P 4 b m | 5.5191; 5.5191; 3.9085 90; 90; 90 | 119.055 | Jones, G. O.; Thomas, P. A. The tetragonal phase of Na~0.5~Bi~0.5~TiO~3~ – a new variant of the perovskite structure Acta Crystallographica Section B, 2000, 56, 426-430 |
2104015 | CIF Paper | Gd S1.82 | P 4/n | 3.8951; 3.8951; 7.9343 90; 90; 90 | 120.378 | Tamazyan, Rafael; van Smaalen, Sander; Vasilyeva, Inga Grigorevna; Arnold, Heinrich Two-dimensionally modulated structure of the rare-earth polysulfide GdS~2{-~<i>x</i>} (<i>x</i> = 0.18 ≃13/72) Acta Crystallographica Section B, 2003, 59, 709-719 |
2107292 | CIF HKL Paper | B4 V3 | I m m m | 2.9821; 3.0601; 13.2251 90; 90; 90 | 120.686 | Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~ Acta Crystallographica Section B, 2015, 71, 777-787 |
2105420 | CIF | B12.64 P1.36 | R -3 m :R | 5.231; 5.231; 5.231 69.5; 69.5; 69.5 | 121.285 | Amberger, E.; Rauh, P.A. Struktur des borreichen Borphosphids Acta Crystallographica B (24,1968-38,1982), 1974, 30, 2549-2553 |
9007653 | CIF | Fe S | P n m a | 5.825; 3.4675; 6.0059 90; 90; 90 | 121.308 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 463 K, P = 0.0001 GPa, MnP-type structure Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
2002945 | CIF Paper | Na O3 Ta | P 4/m b m | 5.55465; 5.55465; 3.93426 90; 90; 90 | 121.388 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
2102688 | CIF Paper | Cu5 Na8 O10 | C2/m(0\b0)s0 | 8.2417; 2.7859; 5.7167 90; 111.971; 90 | 121.726 | van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B, 2007, 63, 17-25 |
2102687 | CIF Paper | Cu Na1.57664 O2 | C2/m(0\b0)s0 | 8.24153; 2.78589; 5.71687 90; 111.97; 90 | 121.727 | van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B, 2007, 63, 17-25 |
2107259 | CIF | D4 F N | P 63 m c | 4.436; 4.436; 7.158 90; 90; 120 | 121.985 | Lawson, A.C.jr.; Roof, R.B.jr.; Jorgensen, J.D.; Schirber, J.E.; Morosin, B. Structure of N D4 F - II Acta Crystallographica B (39,1983-), 1989, 45, 212-218 |
2102689 | CIF Paper | Cu Na1.61689 O2 | C2/m(0\b0)s0 | 8.23682; 2.79269; 5.71224 90; 111.67; 90 | 122.112 | van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B, 2007, 63, 17-25 |
2106401 | CIF | F H4 N | P 63 m c | 4.4389; 4.4389; 7.1635 90; 90; 120 | 122.238 | Morosin, B. The wurtzite z parameter and linear compressibilities for N H4 F Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1635-1637 |
2002944 | CIF Paper | Na Nb O3 | P 4/m b m | 5.56896; 5.56896; 3.94408 90; 90; 90 | 122.319 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
2106129 | CIF | Ir Mo3 | P m -3 n | 4.9682; 4.9682; 4.9682 90; 90; 90 | 122.63 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2106124 | CIF | Mo3 Os | P m -3 n | 4.9689; 4.9689; 4.9689 90; 90; 90 | 122.682 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2100717 | CIF Paper | C6 H5 O2 | P -1 | 3.8291; 5.7546; 5.9771 111.121; 89.936; 92.453 | 122.73 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
2105413 | CIF | B Co Mo | P n m a | 5.741; 3.232; 6.634 90; 90; 90 | 123.093 | Jeitschko, W. The crystal structure of Mo Co B and related compounds Acta Crystallographica B (24,1968-38,1982), 1968, 24, 930-934 |
2101580 | CIF Paper | Pu S2 | P 4 m m | 3.943; 3.943; 7.962 90; 90; 90 | 123.8 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2105359 | CIF | Ag2.868 I S | P m -3 m | 4.987; 4.987; 4.987 90; 90; 90 | 124.028 | Schulz, H.; Beyeler, H.U.; Perenthaler, E. Structures and Phase Transition of beta- and gamma-Ag3 I S Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1017-1023 |
2106244 | CIF | H3 O3 Tb | P 63/m | 6.308; 6.308; 3.6 90; 90; 120 | 124.056 | Beall, G.W.; Milligan, W.O.; Korp, J.D.; Bernal, I. The structure of terbium trihydroxide, Tb (O H)3, by neutron diffraction Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3134-3136 |
2107216 | CIF | Mo6.4 Pt1.6 | P m -3 n | 4.9878; 4.9878; 4.9878 90; 90; 90 | 124.087 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2104293 | CIF Paper | K0.3 Na0.7 Nb O3 | P 1 m 1 | 5.64304; 3.93188; 5.6126 90; 89.9136; 90 | 124.531 | Baker, D. W.; Thomas, P. A.; Zhang, N.; Glazer, A. M. Structural study of K~<i>x~</i>Na~1{-~<i>x</i>}NbO~3~ (KNN) for compositions in the range <i>x</i> = 0.24‒0.36 Acta Crystallographica Section B, 2009, 65, 22-28 |
2104388 | CIF Paper | K0.3 Na0.7 Nb O3 | P 1 m 1 | 5.65868; 3.93856; 5.6248 90; 90.073; 90 | 125.36 | Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B, 2009, 65, 291-299 |
2105375 | CIF | Ag5 Eu | P 6/m m m | 5.6201; 5.6201; 4.6439 90; 90; 120 | 127.029 | Gschneidner, K.A.jr.; McMasters, O.D.J.; Venteicher, R.F. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1224-1229 |
2107071 | CIF | Ge Pt | P n m a | 5.719; 3.697; 6.084 90; 90; 90 | 128.635 | Graeber, E.J.; Morosin, B.; Baughman, R.J. Crystal structure and linear thermal expansitivities of platinum silicide and platinum germanide Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1991-1994 |
2106422 | CIF | D Ga O2 | P b n m | 4.516; 9.779; 2.966 90; 90; 90 | 130.984 | Pye, M.F.; Birtill, J.J.; Dickens, P.G. alpha Gallium oxide deuteriohydroxide: a powder neutron diffraction investigation Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3224-3226 |
2105050 | CIF Paper | Li0.62 Zn0.87 | P -3 m 1 | 4.3528; 4.3528; 8.003 90; 90; 120 | 131.32 | Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut Polymorphism of Li~2~Zn~3~ Acta Crystallographica Section B, 2012, 68, 34-39 |
9015024 | CIF | Mg0.125 O1.872 Zr0.875 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 3, O displaced along [111] Acta Crystallographica, Section B, 1988, 44, 116-120 |
9015434 | CIF | Mg0.125 O1.872 Zr0.875 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 2, O displaced along [100] Acta Crystallographica, Section B, 1988, 44, 116-120 |
9015643 | CIF | Mg0.096 O1.904 Zr0.904 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 1, O atom not displaced Acta Crystallographica, Section B, 1988, 44, 116-120 |
2101618 | CIF Paper | Cl2 H6 N2 Pd | P 1 | 6.3121; 6.4984; 3.3886 96.604; 97.29; 104.691 | 131.786 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B, 1996, 52, 909-916 |
2101679 | CIF Paper | Cu0.3 O4 W Zn0.7 | P -1 | 4.68411; 5.74374; 4.90925 89.6303; 91.1899; 92.073 | 131.963 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101678 | CIF Paper | Cu0.25 O4 W Zn0.75 | P -1 | 4.68499; 5.73796; 4.91163 89.766; 91.135; 91.467 | 131.966 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101677 | CIF Paper | Cu0.2 O4 W Zn0.8 | P 1 2/c 1 | 4.68502; 5.73194; 4.9156 90; 91.0026; 90 | 131.985 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2106603 | CIF | Ba Ni O3 | P 63/m m c | 5.629; 5.629; 4.811 90; 90; 120 | 132.017 | Takeda, Y.; Kanamaru, F.; Shimada, M.; Koizumi, M. Crystal structure of Ba Ni O3 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2464-2466 |
2101676 | CIF Paper | Cu0.15 O4 W Zn0.85 | P 1 2/c 1 | 4.68766; 5.72752; 4.92052 90; 90.8566; 90 | 132.095 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101675 | CIF Paper | Cu0.1 O4 W Zn0.9 | P 1 2/c 1 | 4.69114; 5.72608; 4.92536 90; 90.7507; 90 | 132.293 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101674 | CIF Paper | O4 W Zn | P 1 2/c 1 | 4.69263; 5.72129; 4.92805 90; 90.6321; 90 | 132.3 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101680 | CIF Paper | Cu0.35 O4 W Zn0.65 | P -1 | 4.6901; 5.76474; 4.90647 89.3597; 91.3394; 93.2364 | 132.403 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101681 | CIF Paper | Cu0.4 O4 W Zn0.6 | P -1 | 4.69097; 5.7751; 4.90169 89.2071; 91.487; 93.9239 | 132.425 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101682 | CIF Paper | Cu0.45 O4 W Zn0.55 | P -1 | 4.69174; 5.77857; 4.90054 89.1685; 91.519; 94.1 | 132.464 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101684 | CIF Paper | Cu0.6 O4 W Zn0.4 | P -1 | 4.6947; 5.8028; 4.89158 88.871; 91.828; 95.367 | 132.588 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101683 | CIF Paper | Cu0.55 O4 W Zn0.45 | P -1 | 4.69651; 5.80159; 4.89491 88.913; 91.8172; 95.215 | 132.736 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101686 | CIF Paper | Cu0.7 O4 W Zn0.3 | P -1 | 4.7013; 5.8207; 4.889 88.678; 92.073; 96.099 | 132.918 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101687 | CIF Paper | Cu0.7 O4 W Zn0.25 | P -1 | 4.70508; 5.82979; 4.88441 88.5414; 92.2845; 96.6112 | 132.951 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101685 | CIF Paper | Cu0.65 O4 W Zn0.35 | P -1 | 4.70189; 5.81866; 4.89057 88.706; 92.051; 95.982 | 132.962 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101691 | CIF Paper | Cu0.95 O4 W Zn0.05 | P -1 | 4.70682; 5.83985; 4.88214 88.3889; 92.4646; 97.1148 | 133.004 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101689 | CIF Paper | Cu0.85 O4 W Zn0.15 | P -1 | 4.70559; 5.83597; 4.88391 88.4601; 92.3623; 96.8837 | 133.008 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101690 | CIF Paper | Cu0.9 O4 W Zn0.1 | P -1 | 4.7095; 5.8403; 4.88323 88.413; 92.5035; 97.095 | 133.123 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2107283 | CIF Paper | Mn2 Si3.5 | I 41/a m d :2 | 5.5235; 5.5235; 4.3634 90; 90; 90 | 133.123 | Akselrud, L.; Cardoso Gil, R.; Wagner-Reetz, M.; Grin, Yu. Disorder in the composite crystal structure of the manganese `disilicide' MnSi~1.73~ from powder X-ray diffraction data Acta Crystallographica Section B, 2015, 71, 707-712 |
2101688 | CIF Paper | Cu0.8 O4 W Zn0.2 | P -1 | 4.70707; 5.83407; 4.88649 88.511; 92.3254; 96.735 | 133.124 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2101692 | CIF Paper | Cu O4 W | P -1 | 4.70953; 5.84516; 4.88492 88.353; 92.5081; 97.2047 | 133.246 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
2106882 | CIF | H3 Nd O3 | P 63/m | 6.422; 6.422; 3.742 90; 90; 120 | 133.652 | Beall, G.W.; Milligan, W.O.; Dillin, D.R.; Williams, R.; McCoy, J. Refinement of neodymium trihydroxide Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2227-2229 |
2021616 | CIF HKL | C2 Ba Ca O6 | C 1 2 1 | 6.6775; 5.0982; 4.19239 90; 109.259; 90 | 134.736 | Spahr, Dominik; Bayarjargal, Lkhamsuren; Vinograd, Victor; Luchitskaia, Rita; Milman, Victor; Winkler, Björn A new BaCa(CO3)2 polymorph Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75 |
5000038 | CIF | O2 Zr | F m -3 m | 5.1291; 5.1291; 5.1291 90; 90; 90 | 134.9 | Martin, U; Boysen, H; Frey, F Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400 K Acta Crystallographica Section B, 1993, 49, 403-413 |
2106770 | CIF | Cu Se | P 63/m m c | 3.691; 3.691; 11.442 90; 90; 120 | 134.996 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
2108456 | CIF | O2 Zr | P 1 21/c 1 | 5.059; 5.2097; 5.1763 90; 98.276; 90 | 135.005 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
2101587 | CIF Paper | Cr N Nb | P 4 b m | 4.283; 4.283; 7.36 90; 90; 90 | 135.012 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2106125 | CIF | Nb3 Os | P m -3 n | 5.1348; 5.1348; 5.1348 90; 90; 90 | 135.385 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2100211 | CIF Paper | Ba0.0504 Bi0.2661 O1.8165 Ti0.6835 | ?P? | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275) Acta Crystallographica Section B, 2005, 61, 145-153 |
2106560 | CIF | Ba0.159 Bi0.841 O2.5 Ti | I 1 2/m 1 | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T. Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275) Acta Crystallographica B (39,1983-), 2005, 61, 145-153 |
2105404 | CIF | B2 O3 | P 31 | 4.3358; 4.3358; 8.3397 90; 90; 120 | 135.775 | Gorres, B.T.; Montgomery, P.W.; Knutson, C.D.; Gurr, G.E. The crystal structure of trigonal diboron trioxide Acta Crystallographica B (24,1968-38,1982), 1970, 26, 906-915 |
2108455 | CIF | O2 Zr | P 1 21/c 1 | 5.07006; 5.2095; 5.1975 90; 98.441; 90 | 135.792 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
2101234 | CIF Paper | O2 Zr | F m -3 m | 5.14335; 5.14335; 5.14335 90; 90; 90 | 136.062 | Yashima, M.; Sasaki, S.; Kakihana, M.; Yamaguchi, Y.; Arashi, H.; Yoshimura, M. Oxygen-induced structural change of the tetragonal phase around the tetragonal‒cubic phase boundary in ZrO~2~‒YO~1.5~ solid solutions Acta Crystallographica Section B, 1994, 50, 663-672 |
9015929 | CIF | O2 Ti | I 41/a m d :1 | 3.7845; 3.7845; 9.5143 90; 90; 90 | 136.268 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
2102124 | CIF Paper | O5 Ta2 | C 1 2 1 | 5.2252; 4.6991; 5.8534 90; 108.2; 90 | 136.533 | Zibrov, I. P.; Filonenko, V. P.; Sundberg, M.; Werner, P.-E. Structures and phase transitions of <i>B</i>-Ta~2~O~5~ and <i>Z</i>-Ta~2~O~5~: two high-pressure forms of Ta~2~O~5~ Acta Crystallographica Section B, 2000, 56, 659-665 |
2106126 | CIF | Nb3 Pt | P m -3 n | 5.1524; 5.1524; 5.1524 90; 90; 90 | 136.782 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
2105681 | CIF Paper | O1.879 Y0.242 Zr0.758 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~ Acta Crystallographica Section B, 1999, 55, 726-735 |
2105682 | CIF Paper | O1.879 Y0.242 Zr0.758 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~ Acta Crystallographica Section B, 1999, 55, 726-735 |
2107334 | CIF | O1.7096 Y0.242 Zr0.7576 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Hayashi, M.; Matsushima, Y.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr0.758 Y0.242 O1.879 Acta Crystallographica B (39,1983-), 1999, 55, 726-735 |
2108454 | CIF | O2 Zr | P 1 21/c 1 | 5.09098; 5.2093; 5.23197 90; 98.706; 90 | 137.155 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
2100243 | CIF Paper | Mn O4 Re | P 1 2/c 1 | 4.8022; 5.6318; 5.0803 90; 92.762; 90 | 137.24 | Bramnik, Kirill G.; Ehrenberg, Helmut; Buhre, Stephan; Fuess, Hartmut Preparation, crystal structure and magnetic properties of the high-pressure phase MnReO~4~ with a wolframite-type structure Acta Crystallographica Section B, 2005, 61, 246-249 |
2106284 | CIF | F6 K2 Re | P -3 m 1 | 5.879; 5.879; 4.611 90; 90; 120 | 138.017 | Clark, G.R.; Russell, D.R. Potassium hexafluororhenate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 894-895 |
2108453 | CIF | O2 Zr | P 1 21/c 1 | 5.10541; 5.20827; 5.25387 90; 98.868; 90 | 138.032 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
2107092 | CIF | Ce H3 O3 | P 63/m | 6.489; 6.489; 3.8061 90; 90; 120 | 138.793 | Mullica, D.F.; Oliver, J.D.; Milligan, W.O. Cerium Trihydroxide Acta Crystallographica B (24,1968-38,1982), 1979, 35, 2668-2670 |
2108452 | CIF | O2 Zr | P 1 21/c 1 | 5.12418; 5.20803; 5.28293 90; 99.048; 90 | 139.231 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
2106848 | CIF | F6 K2 U | P -6 2 m | 6.5528; 6.5528; 3.749 90; 90; 120 | 139.412 | Brunton, G. Refinement of the crystal structure of beta1-K2 U F6 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 2163-2164 |
9013891 | CIF | Ba Cl F | P 4/n m m :2 | 4.3939; 4.3939; 7.2248 90; 90; 90 | 139.485 | Sauvage, M. Refinement of the structures of SrFCl and BaFCl Note: matlockite structure Acta Crystallographica, Section B, 1974, 30, 2786-2787 |
2106614 | CIF | Hf0.006 O2 Zr0.994 | P 1 21/c 1 | 5.1313; 5.1857; 5.3248 90; 99.34; 90 | 139.811 | Yashima, M.; Tsunekawa, S. Structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Acta Crystallographica B (39,1983-), 2006, 62, 161-164 |
1008072 | CIF | Co Mn P | P n m a | 5.947; 3.504; 6.726 90; 90; 90 | 140.2 | Fruchart, D; Bacmann, M; Chaudouet, P Structure du Phosphure de Cobalt et de Manganese Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2759-2761 |
2106538 | CIF | Bi2 O6 U | P -3 | 4.045; 4.045; 9.9 90; 90; 120 | 140.282 | Koster, A.S.; Renaud, J.P.P.; Rieck, G.D. The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 127-131 |
2108451 | CIF | O2 Zr | P 1 21/c 1 | 5.14204; 5.20869; 5.30989 90; 99.1726; 90 | 140.398 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
2108450 | CIF | O2 Zr | P 1 21/c 1 | 5.1473; 5.20878; 5.31657 90; 99.2056; 90 | 140.708 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
2106532 | CIF | N O3 Rb | P m m n :1 | 5.667; 5.181; 4.798 90; 90; 90 | 140.873 | Kalliomaeki, M.S.; Meisalo, V.P.J. Structure determination of the high-pressure phases Rb N O3 V, Cs N O3 III and Cs N O3 IV Acta Crystallographica B (24,1968-38,1982), 1979, 35, 2829-2835 |
9016714 | CIF | O2 Zr | P 1 21/c 1 | 5.1505; 5.2116; 5.3173 90; 99.23; 90 | 140.881 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120 |
2106471 | CIF | Cl2 Cs I | R -3 m :R | 5.469; 5.469; 5.469 70.67; 70.67; 70.67 | 141.079 | van Bolhuis, F.; Tucker, P.A. Refinement of the crystal structure of cesium dichloroiodide Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2613-2614 |
2107453 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1604; 5.2072; 5.3208 90; 98.822; 90 | 141.28 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107455 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1603; 5.2086; 5.3211 90; 98.912; 90 | 141.29 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107451 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1595; 5.2069; 5.3223 90; 98.78; 90 | 141.31 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107449 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1623; 5.2052; 5.3229 90; 98.63; 90 | 141.41 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107447 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.164; 5.206; 5.325 90; 98.7; 90 | 141.51 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
2107203 | CIF | F6 H8 N2 Ti | P -3 m 1 | 5.92; 5.92; 4.702 90; 90; 120 | 142.711 | Tun, Z.; Brown, I.D. Hydrogen bonding in diammonium hexafluorotitanate Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1792-1794 |
2106769 | CIF | Cu Se | P 63/m m c | 3.706; 3.706; 12.046 90; 90; 120 | 143.28 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
2107157 | CIF | Cu2 Li P2 | I 4/m m m | 3.887; 3.887; 9.55 90; 90; 90 | 144.289 | Schlenger, H.; Jacobs, H. Die Kristallstrukturen des Li Cu2 P2 und des Li1.75 Cu1.25 P2 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 327-327 |
9017318 | CIF | C H4 N2 O | P -4 21 m | 5.565; 5.565; 4.684 90; 90; 90 | 145.06 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
2102552 | CIF Paper | N4 Si3 | P 63/m | 7.6015; 7.6015; 2.9061 90; 90; 120 | 145.425 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
2102553 | CIF Paper | N4 Si3 | P 63 | 7.6015; 7.6015; 2.9061 90; 90; 120 | 145.425 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
2102554 | CIF Paper | N4 Si3 | P 63/m | 7.602; 7.602; 2.906 90; 90; 120 | 145.439 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
2102555 | CIF Paper | N4 Si3 | P 63 | 7.602; 7.602; 2.906 90; 90; 120 | 145.439 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
9017317 | CIF | C H4 N2 O | P -4 21 m | 5.57; 5.57; 4.688 90; 90; 90 | 145.445 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
2106113 | CIF | Hg In | R -3 m :H | 3.572; 3.572; 13.168 90; 90; 120 | 145.503 | Segnini, M.; Giessen, B.C. The crystal structure of Hg In Acta Crystallographica B (24,1968-38,1982), 1972, 28, 320-321 |
2102550 | CIF Paper | N4 Si3 | P 63/m | 7.6044; 7.6044; 2.9063 90; 90; 120 | 145.546 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
2102551 | CIF Paper | N4 Si3 | P 63 | 7.6044; 7.6044; 2.9063 90; 90; 120 | 145.546 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
2022025 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
9017316 | CIF | C H4 N2 O | P -4 21 m | 5.584; 5.584; 4.689 90; 90; 90 | 146.208 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
2003112 | CIF Paper | C H4 N2 O | P -4 21 m | 5.589; 5.589; 4.6947 90; 90; 90 | 146.65 | Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results Acta Crystallographica Section B, 1999, 55, 45-54 |
9011118 | CIF | Ag3 Sn | P m m n :2 | 5.968; 4.7802; 5.1843 90; 90; 90 | 147.899 | Fairhurst, C. W.; Cohen, J. B. The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn Acta Crystallographica, Section B, 1972, 28, 371-378 |
2105344 | CIF | Ag La O S | P 4/n m m :2 | 4.05; 4.05; 9.039 90; 90; 90 | 148.262 | Palazzi, M.; Jaulmes, S. Structure du conducteur ionique La O Ag Y Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1337-1339 |
2105403 | CIF | B2 O3 | C c m 21 | 4.613; 7.803; 4.129 90; 90; 90 | 148.624 | Shannon, R.D.; Prewitt, C.T. Crystal structure of a high-pressure form of B2 O3 Acta Crystallographica B (24,1968-38,1982), 1968, 24, 869-874 |
2106533 | CIF | Cs N O3 | P m m n :1 | 5.837; 5.143; 4.978 90; 90; 90 | 149.438 | Kalliomaeki, M.S.; Meisalo, V.P.J. Structure Determination of the High-Pressure Phases Rb N O3 V, Cs N O3 III and Cs N O3 IV Acta Crystallographica B (24,1968-38,1982), 1979, 35, 2829-2835 |
9011285 | CIF | Au Te2 | C 1 2/m 1 | 7.1; 4.221; 5.029 90; 90.4; 90 | 150.711 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 2.40 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
1007035 | CIF | C Ag2 O3 | P 1 21/m 1 | 4.852; 9.553; 3.255 90; 91.96; 90 | 150.8 | Masse, R; Guitel, J C; Durif, A Structure du carbonate d'argent Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1428-1429 |
2104419 | CIF HKL Paper | As2 Cu Gd | P21/m(\a0\g)00 | 3.9041; 3.9015; 9.908 90; 90.05; 90 | 150.92 | Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M. Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms Acta Crystallographica Section B, 2009, 65, 527-534 |
2106033 | CIF | C2 Ir U2 | I 4/m m m | 3.4804; 3.4804; 12.4821 90; 90; 90 | 151.198 | Bowman, A.L.; Arnold, G.P.; Krikorian, N.H. The crystal structure of U2 Ir C2 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1067-1068 |
9011174 | CIF | Ba Br F | P 4/n m m :2 | 4.508; 4.508; 7.441 90; 90; 90 | 151.216 | Liebich, W.; Nicollin, D. Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure Acta Crystallographica, Section B, 1977, 33, 2790-2794 |
2104225 | CIF Paper | F4 O2 Rb2 W | P -3 m 1 | 6.0056; 6.0056; 4.8636 90; 90; 120 | 151.915 | Udovenko, Anatoly A.; Laptash, Natalia M. Disorder in crystals of dioxofluorotungstates, (NH~4~)~2~WO~2~F~4~ and Rb~2~WO~2~F~4~ Acta Crystallographica Section B, 2008, 64, 645-651 |
2106832 | CIF | H6 K2 O6 Pt | R -3 :R | 5.658; 5.658; 5.658 69.04; 69.04; 69.04 | 152.371 | Bandel, G.; Platte, C.; Troemel, M. Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV) Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1544-1546 |
9011284 | CIF | Au Te2 | C 1 2/m 1 | 7.1; 4.286; 5.029 90; 90.3; 90 | 153.033 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.89 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
2106529 | CIF | Co0.974 Ge Mn0.997 | P n m a | 5.316; 4.087; 7.079 90; 90; 90 | 153.802 | Jeitschko, W. A high-temperature X-ray study of the displacive phase transition in Mn Co Ge Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1187-1190 |
2107004 | CIF | Cr P2 | C 1 2/m 1 | 8.213; 3.034; 7.098 90; 119.47; 90 | 153.985 | Jeitschko, W.; Donohue, P.C. High-pressure Cr P2 and Cr As2 with Os Ge2-type structures and crystal chemistry of transition-metal dipnictides Acta Crystallographica B (24,1968-38,1982), 1973, 29, 783-789 |
9011283 | CIF | Au Te2 | C 1 2/m 1 | 7.11; 4.29; 5.05 90; 90.3; 90 | 154.032 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.78 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
9011282 | CIF | Au Te2 | C 1 2/m 1 | 7.129; 4.314; 5.036 90; 90.15; 90 | 154.879 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.63 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
9011233 | CIF | Cu3 O8 V2 | P -1 | 5.196; 5.355; 6.505 69.22; 88.69; 68.08 | 155.733 | Coing-Boyat J Structure de la variete ordinaire, triclinique, de l'orthovanadate de cuivre(II), Cu3(VO4)2 Acta Crystallographica, Section B, 1982, 38, 1546-1548 |
2102845 | CIF Paper | Ce0.5 O2 Zr0.5 | F m -3 m | 5.3848; 5.3848; 5.3848 90; 90; 90 | 156.14 | Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B, 2007, 63, 384-389 |
1000166 | CIF | Al F4 K | P 4/m b m | 5.043; 5.043; 6.164 90; 90; 90 | 156.8 | Mouet, J; Pannetier, J; Fourquet, J L The Room-Temperature Structure of Potassium Tetrafluoroaluminate Acta Crystallographica B (24,1968-38,1982), 1981, 37, 32-34 |
2106833 | CIF | Ba O3 Tb1.002 | R -3 c :R | 6.05; 6.05; 6.05 60.13; 60.13; 60.13 | 157.046 | Banks, E.; la Placa, S.J.; Kunnmann, W.; Corliss, L.M.; Hastings, J.M. A note on the crystal and magnetic structure of Ba Tb O3 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 3429-3430 |
9011281 | CIF | Au Te2 | C 1 2/m 1 | 7.164; 4.371; 5.064 90; 90; 90 | 158.573 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.63 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
9007661 | CIF | Mo S2 | R 3 m :H | 3.163; 3.163; 18.37 90; 90; 120 | 159.162 | Schonfeld, B.; Huang, J. J.; Moss, S. C. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 3R polytype Acta Crystallographica, Section B, 1983, 39, 404-407 |
9011280 | CIF | Au Te2 | C 1 2/m 1 | 7.171; 4.385; 5.064 90; 90.04; 90 | 159.237 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.41 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
9013397 | CIF | Sb | R -3 m :H | 4.196; 4.196; 10.455 90; 90; 120 | 159.414 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.7 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
2102582 | CIF Paper | O5 V2 | P 1 21/m 1 | 7.114; 3.57177; 6.2846 90; 90.069; 90 | 159.689 | Filonenko, V. P.; Sundberg, M.; Werner, P.-E.; Zibrov, I. P. Structure of a high-pressure phase of vanadium pentoxide, β-V~2~O~5~ Acta Crystallographica Section B, 2004, 60, 375-381 |
9011259 | CIF | Ag0.1 Au0.9 Te2 | C 1 2/m 1 | 7.182; 4.402; 5.056 90; 89.99; 90 | 159.846 | Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 100 K Acta Crystallographica, Section B, 1988, 44, 486-494 |
2102763 | CIF Paper | Si | F d -3 m :2 | 5.42712; 5.42712; 5.42712 90; 90; 90 | 159.848 | Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B, 2007, 63, 63-68 |
9013396 | CIF | Sb | R -3 m :H | 4.198; 4.198; 10.485 90; 90; 120 | 160.024 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.15 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
2104737 | CIF Paper | Si | F d -3 m | 5.43096; 5.43096; 5.43096 90; 90; 90 | 160.188 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
2106528 | CIF | Co0.974 Ge Mn0.997 | P n m a | 5.947; 3.826; 7.051 90; 90; 90 | 160.433 | Jeitschko, W. A high-temperature X-ray study of the displacive phase transition in Mn Co Ge Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1187-1190 |
9011278 | CIF | Au Te2 | C 1 2/m 1 | 7.189; 4.407; 5.069 90; 89.96; 90 | 160.596 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.0001 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
9011279 | CIF | Au Te2 | C 1 2/m 1 | 7.189; 4.407; 5.069 90; 89.96; 90 | 160.596 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = <0.5 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
2107191 | CIF | Au Te2 | C 1 2/m 1 | 7.1947; 4.4146; 5.0703 90; 90.038; 90 | 161.041 | Schutte, W.J.; de Boer, J.L. Valence fluctuations in the incommensurately modulated structure of calaverite Au Te2 Acta Crystallographica B (39,1983-), 1988, 44, 486-494 |
9011258 | CIF | Ag0.1 Au0.9 Te2 | C 1 2/m 1 | 7.1947; 4.4146; 5.0703 90; 90.038; 90 | 161.041 | Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 298 K Acta Crystallographica, Section B, 1988, 44, 486-494 |
9013395 | CIF | Sb | R -3 m :H | 4.21; 4.21; 10.53 90; 90; 120 | 161.63 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.8 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
2100669 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 4.82; 7.563; 4.873 90; 114.5; 90 | 162 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
9013394 | CIF | Sb | R -3 m :H | 4.214; 4.214; 10.569 90; 90; 120 | 162.538 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.3 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
2106095 | CIF | Ni Y | P n m a | 7.156; 4.124; 5.515 90; 90; 90 | 162.755 | Klepp, K.; Parthe, E. Yttrium-nickel Y Ni with the FeB structure type Acta Crystallographica B (24,1968-38,1982), 1980, 36, 3093-3094 |
2104420 | CIF Paper | As2 Au0.973 Gd | P21/m(\a0\g)00 | 3.957; 4.06; 10.135 90; 90.01; 90 | 162.82 | Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M. Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms Acta Crystallographica Section B, 2009, 65, 527-534 |
2104421 | CIF Paper | As2 Au0.966 Tb | P21/m(\a0\g)00 | 3.933; 4.0891; 10.135 90; 90; 90 | 163 | Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M. Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms Acta Crystallographica Section B, 2009, 65, 527-534 |
2106976 | CIF | Be3 O4 Sr | P -6 2 c | 4.5961; 4.5961; 8.93 90; 90; 120 | 163.366 | Harris, L.A.; Yakel, H.L.jr. The Crystal Structure of Sr Be3 O4 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1647-1651 |
2107064 | CIF | Ge S | P n m a | 10.47; 3.641; 4.297 90; 90; 90 | 163.807 | Bissert, G.; Hesse, K.F. Verfeinerung der Struktur von Germanium(II)-sulfid, Ge S Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1322-1323 |
2106162 | CIF | Cu0.25 In0.25 S Zn0.5 | F -4 3 m | 5.475; 5.475; 5.475 90; 90; 90 | 164.117 | Parthe, E.; Yvon, K.; Deitch, R.H. The crystal structure of Cu2 Cd Ge S4 and other quaternary normal tetrahedral structure componds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1164-1174 |
2106768 | CIF | Cu Se | P 63/m m c | 3.604; 3.604; 14.597 90; 90; 120 | 164.196 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
2108392 | CIF | Ge Te | P n m a | 7.369; 3.9249; 5.698 90; 90; 90 | 164.8 | Herrmann, Markus Guido; Stoffel, Ralf Peter; Küpers, Michael; Ait Haddouch, Mohammed; Eich, Andreas; Glazyrin, Konstantin; Grzechnik, Andrzej; Dronskowski, Richard; Friese, Karen New insights on the GeSe<i>~{ıt x~</i>}Te~1{-~<i>x</i>} phase diagram from theory and experiment Acta Crystallographica Section B, 2019, 75 |
2106164 | CIF | Co In3 | P 4/m b m | 6.83; 6.83; 3.547 90; 90; 90 | 165.464 | Stadelmaier, H.H.; Schoebel, J.D.; Jones, R.A.; Shumaker, C.A. The crystal structure of stoichiometric Co In3 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2926-2929 |
2106351 | CIF | Be5.11 Rh0.79 | P -6 m 2 | 4.191; 4.191; 10.886 90; 90; 120 | 165.59 | Johnson, Q.; Krikorian, O.H.; Smith, G.S. The crystal structure of Rh Be6.6 Acta Crystallographica B (24,1968-38,1982), 1970, 26, 109-113 |
2105393 | CIF | Au3.96 Cr1.04 | I 4/m | 6.398; 6.398; 4.046 90; 90; 90 | 165.621 | Watanabe, Y.; Iwasaki, H. Lattice modulation in the Mo Ni4-type structure of Au4 Cr Acta Crystallographica B (39,1983-), 1984, 40, 373-376 |
2104951 | CIF Paper | Rb2 S | P 63/m m c | 5.30756; 5.30756; 6.80615 90; 90; 120 | 166.044 | Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions Acta Crystallographica Section B, 2011, 67, 109-115 |
2310786 | CIF Paper | Al4.78 O9.61 Si1.22 | P b a m | 7.5757; 7.6651; 2.885 90; 90; 90 | 167.528 | Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368 |
2108042 | CIF HKL | Al4.847 O9.577 Si1.153 | P b a m | 7.5817; 7.6752; 2.8843 90; 90; 90 | 167.84 | Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon Ordered vacancy distribution in 2/1 mullite: a superspace model Acta Crystallographica Section B, 2017, 73 |
2310785 | CIF Paper | Al4.8 O9.6 Si1.2 | P b a m | 7.5911; 7.6924; 2.8899 90; 90; 90 | 168.752 | Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368 |
2100668 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 4.949; 7.704; 4.96 90; 116.7; 90 | 168.9 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
9007682 | CIF | Co S2 | P a -3 | 5.5385; 5.5385; 5.5385 90; 90; 90 | 169.893 | Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model Acta Crystallographica, Section B, 1991, 47, 650-659 |
2106831 | CIF | H14 N2 O6 Pt | R -3 :R | 5.668; 5.668; 5.668 77.01; 77.01; 77.01 | 169.954 | Bandel, G.; Platte, C.; Troemel, M. Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV) Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1544-1546 |
2106873 | CIF | Cl K O3 | P 1 21/m 1 | 4.63; 5.568; 7.047 90; 110.21; 90 | 170.486 | Danielsen, J.; Larsen, F.K.; Hazell, A. The Structure of Potassium Chlorate at 77 and 298 K Acta Crystallographica B (24,1968-38,1982), 1981, 37, 913-915 |
9017338 | CIF | O2 Si | P 41 21 2 | 4.9727; 4.9727; 6.9257 90; 90; 90 | 171.257 | Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75 |
2105436 | CIF | B4 Hf Ir3 | P 63/m | 7.548; 7.548; 3.487 90; 90; 120 | 172.047 | Rogl, P. The crystal structure of Zr Ir3 B4 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 721-724 |
2105794 | CIF HKL Paper | Ba2 Ca0.07 Cu3 O6.85 Y0.93 | P m m m | 3.8114; 3.8712; 11.6824 90; 90; 90 | 172.37 | Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers Acta Crystallographica Section B, 2014, 70, 236-242 |
9011175 | CIF | Ba F I | P 4/n m m :2 | 4.654; 4.654; 7.962 90; 90; 90 | 172.455 | Liebich, W.; Nicollin, D. Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure Acta Crystallographica, Section B, 1977, 33, 2790-2794 |
2100673 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 4.9921; 5.137; 7.2 90; 110.87; 90 | 172.53 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
2107953 | CIF | Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 | P 4/m m m | 3.8526; 3.8526; 11.666 90; 90; 90 | 173.15 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
2100672 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 5.031; 5.132; 7.167 90; 110.6; 90 | 173.2 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
2310042 | CIF Paper | Bi0.727 Mo0.273 O1.909 | F2/m(\a0\g)0s | 5.64477; 5.63038; 5.4499 90; 89.7498; 90 | 173.208 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
2105796 | CIF HKL | Al0.3 Ba1.92 Ca0.2 Cu2.7 O6.76 Y0.88 | P 4/m m m | 3.8595; 3.8595; 11.6456 90; 90; 90 | 173.47 | Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers Acta Crystallographica Section B, 2014, 70, 236-242 |
2107952 | CIF Paper | Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 | P 4/m m m | 3.8551; 3.8551; 11.6782 90; 90; 90 | 173.56 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
2105411 | CIF | B3.76 Ir3 Zr | P 63/m | 7.56; 7.56; 3.512 90; 90; 120 | 173.832 | Rogl, P. The crystal structure of Zr Ir3 B4 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 721-724 |
2105795 | CIF HKL | Al0.06 Ba2 Ca0.06 Cu2.94 O6.81 Y0.94 | P m m m | 3.838; 3.8735; 11.6947 90; 90; 90 | 173.859 | Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers Acta Crystallographica Section B, 2014, 70, 236-242 |
2107236 | CIF | Ba2 Cu3 O6.54 Y | P m m m | 3.847; 3.875; 11.7 90; 90; 90 | 174.413 | Buttner, R.H.; Maslen, E.N.; Spadaccini, N. A position-space model for superconductivity in YBa2Cu3O7-x Acta Crystallographica B (39,1983-), 1992, 48, 21-30 |
2310039 | CIF Paper | Bi0.737 Mo0.263 O1.895 | F2(\a0\g)0 | 5.66785; 5.64098; 5.45603 90; 89.6677; 90 | 174.439 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
2104741 | CIF Paper | As Fe S | P -1 | 5.74339; 5.66981; 5.78711 90; 112.191; 90 | 174.49 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
2104752 | CIF Paper | As Fe S | P -1 | 5.74336; 5.66981; 5.78711 90; 112.19; 90 | 174.49 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
2107237 | CIF | Ba2 Cu3 O6.78 Y | P m m m | 3.842; 3.886; 11.69 90; 90; 90 | 174.532 | Buttner, R.H.; Maslen, E.N.; Spadaccini, N. A position-space model for superconductivity in Y Ba2 Cu3 O7-x Acta Crystallographica B (39,1983-), 1992, 48, 21-30 |
2106767 | CIF | Cu Se | P 63/m m c | 3.658; 3.658; 15.106 90; 90; 120 | 175.052 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
2101581 | CIF Paper | Cl3 Cs Eu | P 4 m m | 5.588; 5.588; 5.619 90; 90; 90 | 175.5 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2105374 | CIF | Ag4 Sc | I 4/m | 6.574; 6.574; 4.0686 90; 90; 90 | 175.835 | Venteicher, R.F.; Gschneidner, K.A.jr.; McMasters, O.D. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1224-1229 |
9011214 | CIF | As O4 Sb | P 1 21/m 1 | 4.794; 6.925; 5.307 90; 93.55; 90 | 175.846 | Jones, P. G.; Sheldrick, G. M.; Schwarzmann, E. Antimony(III) arsenic(V) oxide Acta Crystallographica, Section B, 1980, 36, 1923-1925 |
2108652 | CIF HKL | Cl Na | F m -3 m | 5.6035; 5.6035; 5.6035 90; 90; 90 | 175.95 | Tsirelson, Vladimir; Stash, Adam Orbital-free quantum crystallography: view on forces in crystals Acta Crystallographica Section B, 2020, 76 |
2100804 | CIF Paper | Ba2 Cu3 O6 Y | P 4/m m m | 3.86; 3.86; 11.813 90; 90; 90 | 176.05 | Sasaki, S.; Inoue, Z.; Iyi, N.; Takekawa, S. Electron density study of YBa~2~Cu~3~O~6+{δ~} Acta Crystallographica Section B, 1992, 48, 393-400 |
2310040 | CIF Paper | Bi0.75 Mo0.25 O1.875 | F2/m(\a0\g)0s | 5.70284; 5.64841; 5.46579 90; 89.5999; 90 | 176.06 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
2108749 | CIF HKL | C2 H5 Na O | P -4 21 m | 4.41084; 4.41084; 9.06779 90; 90; 90 | 176.418 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
2312137 | CIF HKL | Co Ga Mg | P 63/m m c | 5.0151; 5.0151; 8.1086 90; 90; 120 | 176.62 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut A new ternary derivative of the Laves phases in the Mg-Co-Ga system. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79 |
2108702 | CIF HKL | Nd Te1.923 | P 4/n m m :1 | 4.4274; 4.4274; 9.029 90; 90; 90 | 176.99 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
2102219 | CIF Paper | ? | P -3 m 1 | 5.846; 5.846; 5.9941 90; 90; 120 | 177.408 | Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~ Acta Crystallographica Section B, 2004, 60, 32-40 |
9007643 | CIF | C O2 | P a -3 | 5.624; 5.624; 5.624 90; 90; 90 | 177.884 | Simon, A.; Peters, K. Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K Acta Crystallographica, Section B, 1980, 36, 2750-2751 |
2310041 | CIF Paper | Bi0.769 Mo0.231 O1.846 | F2(\a0\g)0 | 5.76634; 5.64745; 5.46529 90; 89.7935; 90 | 177.977 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
2106141 | CIF | Ca O2 P2 Zn2 | P -3 | 5.18; 5.18; 7.67 90; 90; 120 | 178.232 | Czaya, R. Dehydration and transformation phases of Scholzite Ca Zn2 (P O4)2 (H2 O)2 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 322-323 |
2104292 | CIF Paper | B3 Bi O6 | C 1 | 7.4781; 3.934; 6.2321 93.728; 102.933; 90.756 | 178.24 | Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M. High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data Acta Crystallographica Section B, 2009, 65, 1-10 |
2108701 | CIF HKL | Pr Te1.942 | P 4/n m m :1 | 4.4535; 4.4535; 9.047 90; 90; 90 | 179.44 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
2100671 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 5.1; 5.212; 7.262 90; 111.6; 90 | 179.5 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
1001659 | CIF | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8234; 3.8234; 12.384 90; 90; 90 | 181 | Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-), 1995, 51, 18-22 |
2101254 | CIF Paper | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8234; 3.8234; 12.384 90; 90; 90 | 181 | Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~ Acta Crystallographica Section B, 1995, 51, 18-22 |
2106196 | CIF | O | C c m m | 5.835; 2.568; 12.082 90; 90; 90 | 181.04 | Michiue, Y.; Onoda, M.; Kimizuka, N.; Watanabe, M.; Brown, F. Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2 (x=0.61) composite crystal Acta Crystallographica B (39,1983-), 2001, 57, 458-465 |
2106669 | CIF | Pd Pu | P n m a | 7.036; 4.55; 5.663 90; 90; 90 | 181.294 | Cromer, D.T. The structure of Pu Pd Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1760-1761 |
1001657 | CIF | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8271; 3.8271; 12.385 90; 90; 90 | 181.4 | Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-), 1995, 51, 18-22 |
2100665 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.07; 7.185; 5.501 90; 115.11; 90 | 181.45 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
2100664 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.065; 7.181; 5.508 90; 115.07; 90 | 181.46 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
2103181 | CIF Paper | C6 H12 N3 O P | R 3 m :R | 5.8847; 5.8847; 5.8847 104.09; 104.09; 104.09 | 181.512 | Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H. Some 60 new space-group corrections Acta Crystallographica Section B, 2002, 58, 62-77 |
2101252 | CIF Paper | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8271; 3.8271; 12.395 90; 90; 90 | 181.55 | Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1{-~<i>x</i>}Cu~2~O~7{-~δ} Acta Crystallographica Section B, 1995, 51, 18-22 |
2102792 | CIF Paper | ? | R -3 m :H | 3.04245; 3.04245; 22.6641426 90; 90; 120 | 181.68 | Radha A. V.; Kamath, P. Vishnu; Shivakumara, C. Order and disorder among the layered double hydroxides: a combined Rietveld and DIFFaX approach Acta Crystallographica, Section B: Structural Science, 2007, 63, 243-250 |
2106174 | CIF | H3 Li O2 | C 1 2/m 1 | 7.37; 8.26; 3.19 90; 110.3; 90 | 182.133 | Alcock, N.W. Refinement of the crystal structure of lithium hydroxide monohydrate Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1682-1683 |
2101253 | CIF Paper | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8356; 3.8356; 12.39 90; 90; 90 | 182.2 | Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~ Acta Crystallographica Section B, 1995, 51, 18-22 |
1001658 | CIF | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8356; 3.8356; 12.39 90; 90; 90 | 182.3 | Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-), 1995, 51, 18-22 |
2100704 | CIF Paper | Ni4 Ti3 | R -3 :R | 6.6695; 6.6695; 6.6695 113.838; 113.838; 113.838 | 182.39 | Tirry, Wim; Schryvers, Dominique; Jorissen, Kevin; Lamoen, Dirk Electron-diffraction structure refinement of Ni~4~Ti~3~ precipitates in Ni~52~Ti~48~ Acta Crystallographica Section B, 2006, 62, 966-971 |
2100667 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.078; 7.204; 5.528 90; 115.24; 90 | 182.9 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
9007683 | CIF | Ni S2 | P a -3 | 5.6765; 5.6765; 5.6765 90; 90; 90 | 182.912 | Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model, T = 135 K Acta Crystallographica, Section B, 1991, 47, 650-659 |
9007560 | CIF | N Na O3 | R -3 m :H | 5.084; 5.084; 8.175 90; 90; 120 | 182.991 | Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 290 C Acta Crystallographica, Section B, 1972, 28, 2700-2702 |
9007567 | CIF | N Na O3 | R -3 m :H | 5.084; 5.084; 8.175 90; 90; 120 | 182.991 | Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 290 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702 |
2100666 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.102; 7.197; 5.535 90; 115.18; 90 | 183.93 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
2102793 | CIF Paper | ? | R -3 m :H | 3.066045; 3.066045; 22.5931129 90; 90; 120 | 183.93 | Radha A. V.; Kamath, P. Vishnu; Shivakumara, C. Order and disorder among the layered double hydroxides: a combined Rietveld and DIFFaX approach Acta Crystallographica, Section B: Structural Science, 2007, 63, 243-250 |
2106582 | CIF | C0.5 H9 Al Co2 O9 | R -3 m :H | 3.066045; 3.066045; 22.59311 90; 90; 120 | 183.935 | Radha, A.V.; Kamath, P.V.; Shivakumara, C. Order and disorder among the layered double hydroxides: A combined Rietveld and DIFFaX approach Acta Crystallographica B (39,1983-), 2007, 63, 243-250 |
2101141 | CIF Paper | H3 Li O2 | C 1 2/m 1 | 7.4153; 8.3054; 3.195 90; 110.107; 90 | 184.778 | Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C. Structural, vibrational and electronic properties of a crystalline hydrate from <i>ab initio</i> periodic Hartree‒Fock calculations Acta Crystallographica Section B, 1994, 50, 268-279 |
2101248 | CIF Paper | C4 D6 | C 1 2/m 1 | 7.15889; 6.45529; 4.07818 90; 101.053; 90 | 184.967 | Ibberson, R. M.; Prager, M. The <i>Ab initio</i> crystal-structure determination of perdeuterodimethylacetylene by high-resolution neutron powder diffraction Acta Crystallographica Section B, 1995, 51, 71-76 |
2105365 | CIF | Ag4 Lu | I 4/m | 6.6696; 6.6696; 4.1581 90; 90; 90 | 184.967 | McMasters, O.D.; Gschneidner, K.A.jr.; Venteicher, R.F. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1224-1229 |
2101637 | CIF Paper | Cu S2 | P 1 21 1 | 5.704; 5.703; 5.704 90; 89.99; 90 | 185.5 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Acta Crystallographica Section B, 1996, 52, 899-904 |
9007695 | CIF | Co0.13 Cu0.53 Fe0.07 Ni0.27 S2 | P 1 21 1 | 5.704; 5.703; 5.704 90; 89.99; 90 | 185.551 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Sample: 2 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1996, 52, 899-904 |
9007694 | CIF | Co0.06 Cu0.68 Fe0.11 Ni0.15 S2 | P 1 21 1 | 5.709; 5.707; 5.708 90; 90.01; 90 | 185.974 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Sample: 1 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1996, 52, 899-904 |
2101636 | CIF Paper | Cu S2 | P 1 21 1 | 5.709; 5.707; 5.708 90; 90.01; 90 | 186 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Acta Crystallographica Section B, 1996, 52, 899-904 |
2106248 | CIF | N2 Sb U2 | I 4/m m m | 3.8937; 3.8937; 12.3371 90; 90; 90 | 187.042 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X=Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
2103190 | CIF Paper | C6 H12 N3 P | R 3 m :R | 6.024; 6.024; 6.024 105.94; 105.94; 105.94 | 187.069 | Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H. Some 60 new space-group corrections Acta Crystallographica Section B, 2002, 58, 62-77 |
2108700 | CIF HKL | La Te1.933 | P 4/n m m :1 | 4.5226; 4.5226; 9.147 90; 90; 90 | 187.09 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
2102762 | CIF Paper | D0.46 Li2 Si | C m m m | 11.9099; 3.76253; 4.1754 90; 90; 90 | 187.105 | Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B, 2007, 63, 63-68 |
2101599 | CIF Paper | C D3 F | P 1 21/n 1 | 6.4373; 7.5023; 3.9598 90; 101.842; 90 | 187.167 | Ibberson, R. M.; Prager, M. The <i>ab initio</i> crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction Acta Crystallographica Section B, 1996, 52, 892-895 |
9011221 | CIF | C2 Na2 O4 | P 1 21/c 1 | 3.449; 5.243; 10.375 90; 92.66; 90 | 187.41 | Reed, D. A.; Olmstead, M. M. Sodium oxalate structure refinement Sample: T = 140 K Acta Crystallographica, Section B, 1981, 37, 938-939 |
2312381 | CIF HKL | Al F H2 O2 | P 1 21/c 1 | 5.1788; 7.8386; 5.1624 90; 116.276; 90 | 187.91 | Zubkova, Natalia V.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu Zharchikhite, AlF(OH)<sub>2</sub>: a novel structure type related to α-PbO<sub>2</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2107302 | CIF | Al2.427 O3.64 | C 1 2/m 1 | 11.854; 2.904; 5.622 90; 103.83; 90 | 187.921 | Zhou, R.-S.; Snyder, R.L. Structures and transformation mechanisms of the eta, gamma and theta transition aluminas Acta Crystallographica B (39,1983-), 1991, 47, 617-630 |
2101455 | CIF Paper | Cu Nd2 O4 | I 4/m m m | 3.9379; 3.9379; 12.14 90; 90; 90 | 188.256 | Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J. X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K Acta Crystallographica Section B, 1996, 52, 93-99 |
2106163 | CIF | Cu0.25 In0.25 Se Zn0.5 | F -4 3 m | 5.733; 5.733; 5.733 90; 90; 90 | 188.428 | Parthe, E.; Yvon, K.; Deitch, R.H. The crystal structure of Cu2 Cd Ge S4 and other quaternary normal tetrahedral structure componds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1164-1174 |
1008912 | CIF | O6 V2 W | P 42/m n m | 4.6213; 4.6213; 8.8864 90; 90; 90 | 189.8 | Hodeau, J L; Gondrand, M; Labeau, M; Joubert, J C Structure cristalline de W2 O6 sur monocristal a 298 et 383K Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3543-3547 |
1008913 | CIF | O6 V2 W | P 42/m n m | 4.6212; 4.6212; 8.8959 90; 90; 90 | 190 | Hodeau, J L; Gondrand, M; Labeau, M; Joubert, J C Structure cristalline de W~2~ O~6~ sur monocristal a 298 et 383K Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3543-3547 |
2101454 | CIF Paper | Cu Nd2 O4 | I 4/m m m | 3.9488; 3.9488; 12.1869 90; 90; 90 | 190.03 | Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J. X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K Acta Crystallographica Section B, 1996, 52, 93-99 |
2312627 | CIF | C Cl2 S | P 63/m | 5.947142; 5.947142; 6.236672 90; 90; 120 | 191.029 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2312628 | CIF | C Cl2 S | P 63/m | 5.948306; 5.948306; 6.241408 90; 90; 120 | 191.249 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2312629 | CIF | C Cl2 S | P 63/m | 5.94993; 5.94993; 6.248669 90; 90; 120 | 191.576 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2312630 | CIF | C Cl2 S | P 63/m | 5.951973; 5.951973; 6.257723 90; 90; 120 | 191.986 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2312631 | CIF | C Cl2 S | P 63/m | 5.954232; 5.954232; 6.268135 90; 90; 120 | 192.451 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2102500 | CIF Paper | Cu1.8 Se | F m -3 m | 5.7762; 5.7762; 5.7762 90; 90; 90 | 192.72 | Machado, K. D.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.; Maurmann, C. E.; Gasperini, A. A. M.; Souza, S. M.; Pimenta, A. F. Structural study of Cu~2{-~<i>x</i>}Se alloys produced by mechanical alloying Acta Crystallographica Section B, 2004, 60, 282-286 |
2312632 | CIF | C Cl2 S | P 63/m | 5.956673; 5.956673; 6.279521 90; 90; 120 | 192.959 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106262 | CIF | Cu5 O10 P2 | P -1 | 7.603; 5.304; 5.2 111.66; 90.19; 82.56 | 193.024 | Brunel-Lauegt, M.; Guitel, J.C. Structure cristalline de Cu5 O2 (P O4)2 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3465-3468 |
2105478 | CIF | Ga Se | P -6 m 2 | 3.743; 3.743; 15.919 90; 90; 120 | 193.146 | Cenzual, K.; Gelato, L.M.; Penzo, M.; Parthe, E. Inorganic structure types with revised space groups.I. Acta Crystallographica B, 1991, 47, 433-439 |
9007512 | CIF | Ca2 H4 Mn O10 P2 | P -1 | 5.79; 6.57; 5.51 102.27; 108.67; 90.3 | 193.428 | Fanfani, L.; Nunzi, A.; Zanazzi, P. F. The crystal structure of fairfieldite Acta Crystallographica, Section B, 1970, 26, 640-645 |
2312633 | CIF | C Cl2 S | P 63/m | 5.959287; 5.959287; 6.291645 90; 90; 120 | 193.501 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106250 | CIF | Bi N2 U2 | I 4/m m m | 3.9292; 3.9292; 12.548 90; 90; 90 | 193.724 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X=Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
2107044 | CIF | O5 Te2 | P 1 21 1 | 5.368; 4.696; 7.955 90; 104.82; 90 | 193.86 | Lindqvist, O.; Moret, J. The crystal structure of ditellurium pentoxide, Te2 O5 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 643-650 |
2312634 | CIF | C Cl2 S | P 63/m | 5.961975; 5.961975; 6.304428 90; 90; 120 | 194.069 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2312635 | CIF | C Cl2 S | P 63/m | 5.964911; 5.964911; 6.317775 90; 90; 120 | 194.672 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2312636 | CIF | C Cl2 S | P 63/m | 5.967823; 5.967823; 6.331802 90; 90; 120 | 195.294 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
9007638 | CIF | K Na O4 S | P 3 m 1 | 5.6066; 5.6066; 7.177 90; 90; 120 | 195.377 | Okada, K.; Ossaka, J. Structures of potassium sodium sulphate and tripotassium sodium disulphate Acta Crystallographica, Section B, 1980, 36, 919-921 |
2104694 | CIF HKL Paper | Ga0.1818 O1.0909 Zn0.8181 | Cmcm(00\g)000 | 3.2494; 19.722; 3.0513 90; 90; 90 | 195.54 | Michiue, Yuichi; Kimizuka, Noboru Superspace description of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i> Acta Crystallographica Section B, 2010, 66, 117-129 |
2106136 | CIF | C4 Th4 | F m -3 m | 5.806; 5.806; 5.806 90; 90; 90 | 195.718 | Bowman, A.L.; Krikorian, H.N.; Arnold, G.P.; Wallace, T.C.; Nereson, N.G. The crystal structure of Th C2 Acta Crystallographica B (24,1968-38,1982), 1968, 24, 1121-1123 |
9011321 | CIF | Cl2 Cu3 H6 Mg O6 | P -3 m 1 | 6.2733; 6.2733; 5.7472 90; 90; 120 | 195.875 | Malcherek, T.; Schluter, J. Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond Acta Crystallographica, Section B, 2007, 63, 157-160 |
2102738 | CIF Paper | Cl2 Cu3 H6 Mg O6 | P -3 m 1 | 6.2733; 6.2733; 5.7472 90; 90; 120 | 195.88 | Malcherek, Thomas; Schlüter, Jochen Cu~3~MgCl~2~(OH)~6~ and a redetermination of bond valence parameters for the OH—Cl bond Acta Crystallographica, Section B, 2007, 63, 157-160 |
2312637 | CIF | C Cl2 S | P 63/m | 5.970876; 5.970876; 6.346393 90; 90; 120 | 195.945 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106493 | CIF | Na O5 V2 | P 21 m n | 11.318; 3.611; 4.797 90; 90; 90 | 196.05 | Carpy, A.; Galy, J. Affinement de la structure cristalline du bronze Na V2 O5 alpha' Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1481-1482 |
2312638 | CIF | C Cl2 S | P 63/m | 5.973921; 5.973921; 6.361643 90; 90; 120 | 196.616 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106766 | CIF | Cu Se | P 63/m m c | 3.778; 3.778; 15.908 90; 90; 120 | 196.639 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
2102499 | CIF Paper | Cu2 Se | F 2 3 | 5.8164; 5.8164; 5.8164 90; 90; 90 | 196.772 | Machado, K. D.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.; Maurmann, C. E.; Gasperini, A. A. M.; Souza, S. M.; Pimenta, A. F. Structural study of Cu~2{-~<i>x</i>}Se alloys produced by mechanical alloying Acta Crystallographica Section B, 2004, 60, 282-286 |
2106249 | CIF | N2 Te U2 | I 4/m m m | 3.9631; 3.9631; 12.561 90; 90; 90 | 197.285 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X=Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
2312639 | CIF | C Cl2 S | P 63/m | 5.977085; 5.977085; 6.377402 90; 90; 120 | 197.312 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2104693 | CIF HKL Paper | Ga0.25 O1.25 Zn0.75 | Cmmm(00\g)0s0 | 3.2465; 19.64; 3.0979 90; 90; 90 | 197.53 | Michiue, Yuichi; Kimizuka, Noboru Superspace description of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i> Acta Crystallographica Section B, 2010, 66, 117-129 |
2312640 | CIF | C Cl2 S | P 63/m | 5.98029; 5.98029; 6.393824 90; 90; 120 | 198.032 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2105347 | CIF | Ag N O3 | R 3 m :H | 5.196; 5.196; 8.49 90; 90; 120 | 198.507 | Capponi, J.J.; Meyer, P. Structure d'une phase 'haute temperature' du nitrate d'argent Acta Crystallographica B (24,1968-38,1982), 1982, 38, 2543-2546 |
2002892 | CIF Paper | Al1.95 Na1.95 O4 Si0.05 | P 41 21 2 | 5.2997; 5.2997; 7.0758 90; 90; 90 | 198.74 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
2312641 | CIF | C Cl2 S | P 63/m | 5.983549; 5.983549; 6.410593 90; 90; 120 | 198.768 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106266 | CIF | Am Cl3 | P 63/m | 7.382; 7.382; 4.214 90; 90; 120 | 198.872 | Burns, J.H.; Peterson, J.R. Refinement of the crystal structure of Am Cl3 Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1885-1887 |
2104291 | CIF Paper | B3 Bi O6 | C 1 2 1 | 7.3786; 4.3992; 6.3388 90; 104.374; 90 | 199.32 | Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M. High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data Acta Crystallographica Section B, 2009, 65, 1-10 |
2312642 | CIF | C Cl2 S | P 63/m | 5.986904; 5.986904; 6.42811 90; 90; 120 | 199.535 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106081 | CIF | Ga4 Na | I 4/m m m | 4.223; 4.223; 11.19 90; 90; 90 | 199.559 | Bruzzone, G. The Al4 Ba structure type in intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1206-1207 |
2106928 | CIF | Sr | P 3 1 c | 6.646; 6.646; 5.226 90; 90; 120 | 199.904 | Onoda, M.; Saeki, M.; Yamamoto, A.; Kato, K. Structure refinement of the incommensurate composite crystal Sr1.145 Ta S3 through the Rietveld analysis process Acta Crystallographica B (39,1983-), 1993, 49, 929-936 |
2107255 | CIF | Nb2 Se3 | P 1 21/m 1 | 6.503; 3.434; 9.215 90; 103.39; 90 | 200.189 | Kadijk, F.; Huisman, R.; Jellinek, F. The crystal structures of niobium(III) selenide and tantalum(III) selenide Acta Crystallographica B (24,1968-38,1982), 1968, 24, 1102-1106 |
2312643 | CIF | C Cl2 S | P 63/m | 5.990647; 5.990647; 6.446911 90; 90; 120 | 200.369 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2102112 | CIF Paper | ? | I 41/a m d :2 | 5.20713; 5.20713; 7.40141 90; 90; 90 | 200.683 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
2102113 | CIF Paper | ? | I m m a | 5.19096; 5.21235; 7.41751 90; 90; 90 | 200.696 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
2102114 | CIF Paper | ? | I m m a | 5.17349; 5.22109; 7.43197 90; 90; 90 | 200.747 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
2312644 | CIF | C Cl2 S | P 63/m | 5.994491; 5.994491; 6.46654 90; 90; 120 | 201.237 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2101703 | CIF Paper | Mg0.9 Na1.8 O4 Si1.1 | P 41 21 2 | 5.33; 5.33; 7.086 90; 90; 90 | 201.3 | Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates Acta Crystallographica Section B, 1997, 53, 203-220 |
2108027 | CIF HKL Paper | Fe2 O3 | C 1 2/c 1 | 9.61865; 5.03554; 13.75158 90; 162.404; 90 | 201.349 | Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32 |
2107184 | CIF | Cl4 K2 Pd | P 4/m m m | 7.0259; 7.0259; 4.0797 90; 90; 90 | 201.387 | Takazawa, H.; Ohba, S.; Saito, Y. Electron-density distribution in crystals of dipotassium tetrachloropalladate(II) and dipotassium hexachloropalladate (IV), K2(PdCl4) and K2(PdCl6) at 120K Acta Crystallographica B (39,1983-), 1988, 44, 580-585 |
2105434 | CIF | B4 Eu O7 | P n m 21 | 4.435; 10.731; 4.24 90; 90; 90 | 201.79 | Machida, K.I.; Shiokawa, J.; Adachi, G.Y. Structure of Europium(II) Tetraborate Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2008-2011 |
2101132 | CIF Paper | F6 Li2 Mo | P42 mnm | 4.6863; 4.6863; 9.191 90; 90; 90 | 201.8 | Baur, W. H. Space group of the trirutile type structure of Li~2~MoF~6~ Acta Crystallographica Section B, 1994, 50, 141-146 |
2101133 | CIF Paper | F6 Li2 Mo | P 42 21 2 | 4.6863; 4.6863; 9.191 90; 90; 90 | 201.8 | Baur, W. H. Space group of the trirutile type structure of Li~2~MoF~6~ Acta Crystallographica Section B, 1994, 50, 141-146 |
2106325 | CIF | Cr0.3333 I2 Mn0.6666 | B 1 1 2/m | 7.441; 7.448; 3.978 90; 90; 113.66 | 201.932 | Guen, L.; Nguyen, H.D. Manganese(II) chrome(II) diiodure: phase beta des (Mn, Cr) I2 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 311-312 |
2106057 | CIF | F0.8 Mo4 O11.2 | C m c m | 3.878; 13.96; 3.732 90; 90; 90 | 202.039 | Pierce, J.W.; Vlasse, M. The crystal structures of two oxyfluorides of molybdenum Acta Crystallographica B (24,1968-38,1982), 1971, 27, 158-163 |
2312645 | CIF | C Cl2 S | P 63/m | 5.998426; 5.998426; 6.487189 90; 90; 120 | 202.144 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106829 | CIF | H12 Ni O9 S | R 3 :R | 5.898; 5.898; 5.898 95.4; 95.4; 95.4 | 202.253 | Baggio, S.; Becka, L.N. A reinvestigation of the structure of nickel sulphite hexahydrate, Ni S O3 (H2 O)6 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1150-1155 |
2106243 | CIF | Mg Na2 O4 Si | P 1 n 1 | 7.015; 5.484; 5.26 90; 89.97; 90 | 202.354 | Baur, W.H.; Shannon, R.D.; Ohta, T. Structure of magnesium disodium silicate Na2 Mg Si O4 and ionic conductivity in tetrahedral structures Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1483-1491 |
1100081 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J W; Fuess, H; Elerman, Y Deformation density in magnesium sulfite hexahydrate. Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
1100082 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
1100083 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
2102090 | CIF Paper | K Li O4 S | P 63 | 5.202; 5.202; 8.647 90; 90; 120 | 202.65 | Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B, 2000, 56, 607-617 |
2311689 | CIF Paper | Mo O3 | P m c n | 3.6961; 3.96122; 13.85331 90; 90; 90 | 202.827 | Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer A novel polytype - the stacking fault based γ-MoO3 nanobelts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 201-208 |
2312624 | CIF HKL | C Mo Si2 Y2 | P 4/m b m | 6.9525; 6.9525; 4.1962 90; 90; 90 | 202.83 | Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2105805 | CIF HKL Paper | La Na S2 | F m -3 m | 5.8766; 5.8766; 5.8766 90; 90; 90 | 202.95 | Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series Acta Crystallographica Section B, 2014, 70, 360-371 |
2312646 | CIF | C Cl2 S | P 63/m | 6.0025; 6.0025; 6.50883 90; 90; 120 | 203.094 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106228 | CIF | H12 N2 O8 U | P -1 | 6.287; 6; 5.634 96.2; 90.8; 105.1 | 203.791 | Adrian, H.W.W.; van Tets, A. A low temperature neutron diffraction study of alpha-U-O2 (N H2 O)2 (H2 O)4 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 88-90 |
2101592 | CIF Paper | Cu K Na2 O2 | I 4 m m | 4.327; 4.327; 10.891 90; 90; 90 | 203.9 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2312626 | CIF | C Cl2 S | P 63/m | 6.0132; 6.0132; 6.513 90; 90; 120 | 203.95 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2312647 | CIF | C Cl2 S | P 63/m | 6.006775; 6.006775; 6.53172 90; 90; 120 | 204.099 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
9007639 | CIF | K3 Na O8 S2 | P -3 m 1 | 5.6801; 5.6801; 7.309 90; 90; 120 | 204.221 | Okada, K.; Ossaka, J. Structures of potassium sodium sulphate and tripotassium sodium disulphate Acta Crystallographica, Section B, 1980, 36, 919-921 |
2107423 | CIF | C6 H3 Co N6 | P -3 1 m | 6.432; 6.432; 5.701 90; 90; 120 | 204.255 | Haser, 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 |
2106926 | CIF | Cl4 K2 Pt | P 4/m m m | 7.024; 7.024; 4.147 90; 90; 90 | 204.599 | Ohba, S.; Sato, S.; Saito, Y. Electron-Density Distribution in Crystals of Potassium Tetrachloro- platinate(II) and Influence of X-ray Diffuse Scattering Acta Crystallographica B (39,1983-), 1983, 39, 49-53 |
2106875 | CIF | Ba Fe4 O8 Sr | P -3 1 m | 5.4123; 5.4123; 8.0675 90; 90; 120 | 204.66 | Abbas, 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 |
2312648 | CIF | C Cl2 S | P 63/m | 6.011293; 6.011293; 6.55562 90; 90; 120 | 205.154 | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106914 | CIF | Ba3 O9 Ta2 Zn | P -3 m 1 | 5.78; 5.78; 7.104 90; 90; 120 | 205.537 | Jacobson, A.J.; Collins, B.M.; Fender, B.E.F. A powder neutron and x-ray diffraction determination of the structure of Ba3 Ta2 Zn O9: an investigation of Perovskite phases in the system Ba-Ta-Zn-O and the preparation of Ba2 Ta Cd O5.5 and Ba2 Ce In O5.5. Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1083-1087 |
2312625 | CIF HKL | C Gd2 Mo Si2 | P 4/m b m | 6.9945; 6.9945; 4.202 90; 90; 90 | 205.57 | Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
2106078 | CIF | H5 N O4 Te | P -1 | 5.149; 7.095; 7.349 123.27; 111.79; 70.85 | 205.739 | Benmiloud, L.; Moret, J.; Maurin, M.; Philippot, E. Structure d'un tellurate d'ammonium: N H4 Te O3 (O H) Acta Crystallographica B (24,1968-38,1982), 1980, 36, 139-141 |
2101476 | CIF Paper | B4 O7 Pb | P 21 n m | 4.251; 4.463; 10.86 90; 90; 90 | 206.04 | Corker, D. L.; Glazer, A. M. Structure and optical non-linearity of PbO.2B~2~O~3~ Acta Crystallographica Section B, 1996, 52, 260-265 |
2104048 | CIF Paper | C3 D4 O4 | P -1 | 5.333; 5.158; 11.25 103.33; 136.4; 84.76 | 206.34 | McMullan, R. K.; Klooster, W. T.; Weber, H.-P. Deuterated γ-malonic acid: its neutron crystal structure in relationship to other polymorphs of aliphatic dicarboxylic acids Acta Crystallographica Section B, 2008, 64, 230-239 |
2108028 | CIF HKL Paper | Fe2 O3 | C 1 2/c 1 | 9.6892; 5.08737; 13.84868 90; 162.351; 90 | 206.967 | Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32 |
2100003 | CIF | Cd F6 Tb | P 42/m | 5.1877; 5.1877; 7.69451 90; 90; 90 | 207.077 | Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides Acta Crystallographica, Section B: Structural Science, 2005, 61, 1-10 |
2101159 | CIF Paper | Al5 Fe2 | C m c m | 7.6559; 6.4154; 4.2184 90; 90; 90 | 207.19 | Burkhardt, U.; Grin, Yu.; Ellner, M.; Peters, K. Structure refinement of the iron‒aluminium phase with the approximate composition Fe~2~Al~5~ Acta Crystallographica Section B, 1994, 50, 313-316 |
2106083 | CIF | Al5.6 Fe2 | C m c m | 7.6559; 6.4154; 4.2184 90; 90; 90 | 207.19 | Burkhardt, U.; Grin', Yu.; Ellner, M.; Peters, K. Structure refinement of the iron-aluminium phase with the approxinate composition Fe2 Al5 Acta Crystallographica B (39,1983-), 1994, 50, 313-316 |
9015676 | CIF | As H O5 Zn2 | P -1 | 5.638; 5.827; 6.692 103.25; 104.37; 87.72 | 207.268 | Hawthorne, F. C. Paradamite Acta Crystallographica, Section B, 1979, 35, 720-722 |
2103182 | CIF Paper | C6 H12 N3 P S | R 3 m :R | 6.0482; 6.0482; 6.0482 100.9; 100.9; 100.9 | 207.455 | Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H. Some 60 new space-group corrections Acta Crystallographica Section B, 2002, 58, 62-77 |
2106662 | CIF | Ba Fe4 O8 Sr | P -3 1 m | 5.446; 5.446; 8.082 90; 90; 120 | 207.589 | Cadee, M.C. The crystal structure of hexagonal Ba Sr Fe4 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2012-2015 |
2107054 | CIF | Ba Fe4 O8 Sr | P -6 m 2 | 5.448; 5.448; 8.091 90; 90; 120 | 207.973 | Lucchini, E.; Minichelli, D.; Meriani, S. The crystal structure of beta-Ba Sr Fe4 O8 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 919-920 |
2100843 | CIF Paper | C2 D2 | A c a m | 6.198; 6.023; 5.578 90; 90; 90 | 208.2 | McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B, 1992, 48, 726-731 |
2106518 | CIF | Ba Fe4 O8 Sr | P -3 1 m | 5.45; 5.45; 8.101 90; 90; 120 | 208.383 | Herman-Ronzaud, D.; Bachmann, M. La structure cristalline de Ba Sr Fe4 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 665-668 |
2107508 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.4422; 4.13054; 4.449 90; 90; 90 | 210.271 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2101024 | CIF Paper | F4 K2 Ni | I 4/m m m | 4.013; 4.013; 13.088 90; 90; 90 | 210.78 | Yeh, S. K.; Wu, S. Y.; Lee, C. S.; Wang, Y. Electron-density distribution in a crystal of potassium tetrafluoronickelate, K~2~NiF~4~ Acta Crystallographica Section B, 1993, 49, 806-811 |
9011277 | CIF | Ag Cu S | P m c 21 | 4.0431; 6.591; 7.9149 90; 90; 90 | 210.917 | Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 13 K Note: dimorphic with stromeyerite Acta Crystallographica, Section B, 1991, 47, 891-899 |
2107509 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.46438; 4.13865; 4.44651 90; 90; 90 | 210.974 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2108691 | CIF HKL | B Bi4 I O7 | I m m m | 3.959; 13.453; 3.969 90; 90; 90 | 211.39 | Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia The first bismuth borate oxyiodide, Bi~4~BO~7~I: commensurate or incommensurate? Acta Crystallographica Section B, 2020, 76 |
9011276 | CIF | Ag Cu S | P m c 21 | 4.047; 6.592; 7.93 90; 90; 90 | 211.555 | Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 120 K Note: dimorphic with stromeyerite Acta Crystallographica, Section B, 1991, 47, 891-899 |
2107510 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.48933; 4.14894; 4.44118 90; 90; 90 | 211.705 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2107511 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.49417; 4.15096; 4.44175 90; 90; 90 | 211.924 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2106675 | CIF | F2 K3 Na O6 P2 | P -3 m 1 | 5.761; 5.761; 7.374 90; 90; 120 | 211.948 | Durand, J.; Granier, W.; le Cot, L.; Galigne, J.L. Etudes structurales de composes oxyfluores du P(V). III. Structure cristalline de Na K3 (P O3 F)2 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1533-1535 |
2107183 | CIF | C2 H9 K Mg O10 | P -1 | 6.713; 7.337; 5.364 108.2; 108.9; 59.6 | 211.99 | Stephan, G.W.; MacGillavry, C.H.; Koch, B. The molecular and crystal structure of K H C O3 Mg C O3 (H2 O)4 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1029-1031 |
2107176 | CIF | H2 O10 U3 | P -1 | 6.802; 7.417; 5.556 108.5; 125.5; 88.2 | 212.123 | Siegel, S.; Tani, B.S.; Viste, A.; Hoekstra, H.R. The structure of hydrogen triuranate Acta Crystallographica B (24,1968-38,1982), 1972, 28, 117-121 |
2106732 | CIF | D2 O10 U3 | P -1 | 6.792; 7.416; 5.558 108.46; 125.29; 88.43 | 212.333 | Taylor, J.C.; Wilson, P.W. The deuterium location in deuterium triuranate, D2 U3 O10, by neutron diffraction Acta Crystallographica B (24,1968-38,1982), 1974, 30, 151-154 |
2107422 | CIF | C6 H3 Fe N6 | P -3 1 m | 6.513; 6.513; 5.78 90; 90; 120 | 212.335 | Haser, 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 |
1001770 | CIF | Ca Cl2 H12 O6 | P 3 2 1 | 7.876; 7.876; 3.954 90; 90; 120 | 212.4 | Leclaire, A; Borel, M M Le dichlorure et le dibromure de calcium hexahydrates Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2938-2940 |
2107512 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51746; 4.16192; 4.43267 90; 90; 90 | 212.479 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2106765 | CIF | Cu Se | P 63/m m c | 3.85; 3.85; 16.555 90; 90; 120 | 212.511 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
2107513 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51965; 4.16265; 4.43427 90; 90; 90 | 212.633 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
9011195 | CIF | O5 Se U | P 1 21/m 1 | 5.408; 9.278; 4.2545 90; 93.45; 90 | 213.084 | Loopstra, B. O.; Brandenburg, N. P. Uranyl selenite and uranyl tellurite Acta Crystallographica, Section B, 1978, 34, 1335-1337 |
2107514 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.54547; 4.17619; 4.42402 90; 90; 90 | 213.309 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2106027 | CIF | Ce2 O2 Te | I 4/m m m | 4.0705; 4.0705; 12.904 90; 90; 90 | 213.806 | Benz, R. Ce2 O2 Sb, Ce2 O2 Bi crystal structure Acta Crystallographica B (24,1968-38,1982), 1971, 27, 853-854 |
9011275 | CIF | Ag Cu S | C m c 21 | 4.059; 6.617; 7.967 90; 90; 90 | 213.981 | Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 298 K Acta Crystallographica, Section B, 1991, 47, 891-899 |
2100002 | CIF | Ca F6 Tb | P 42/m | 5.2696; 5.2696; 7.7105 90; 90; 90 | 214.106 | Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides Acta Crystallographica, Section B: Structural Science, 2005, 61, 1-10 |
2107515 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.57949; 4.19611; 4.40769 90; 90; 90 | 214.164 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
9011189 | CIF | Na2 O5 Si Ti | P 4/n m m :1 | 6.48; 6.48; 5.107 90; 90; 90 | 214.445 | Nyman, H.; O'Keeffe M; Bovin, J. O. Sodium titanium silicate, Na2TiSiO5 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1978, 34, 905-906 |
2106254 | CIF | F3 H4 N Sn | R -3 :R | 6.612; 6.612; 6.612 62.27; 62.27; 62.27 | 214.759 | Bergerhoff, G.; Namgung, H. Ammonium-trifluorostannat(II) Acta Crystallographica B (24,1968-38,1982), 1978, 34, 699-700 |
2107516 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.62; 4.22357; 4.38333 90; 90; 90 | 215.125 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2102214 | CIF Paper | D K S | R -3 m :H | 4.988; 4.988; 9.997 90; 90; 120 | 215.4 | Haarmann, Frank; Jacobs, Herbert; Reehuis, Manfred; Loose, Anja Anharmonicity of potentials of atoms in potassium hydrogensulfide (KDS) determined by neutron single-crystal diffraction Acta Crystallographica Section B, 2000, 56, 988-992 |
2107517 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.64398; 4.24224; 4.36522 90; 90; 90 | 215.627 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2107438 | CIF | O7 V4 | P -1 | 5.504; 7.007; 19.243 41.3; 72.5; 109.4 | 216.076 | Horiuchi, H.; Morimoto, N.; Tokonami, M.; Nagasawa, K. The crystal structure of V4 O7 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1404-1410 |
2107518 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.67175; 4.26761; 4.33976 90; 90; 90 | 216.166 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2106404 | CIF | Ag3 O4 P | P -4 3 n | 6.004; 6.004; 6.004 90; 90; 90 | 216.432 | Ng, H.N.; Faggiani, R.; Calvo, C. A new investigation of the structure of silver orthophosphate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 898-899 |
2107519 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.70577; 4.30722; 4.29911 90; 90; 90 | 216.758 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2106101 | CIF | Al11 Mn4 | P -1 | 5.095; 8.879; 5.051 89.35; 100.47; 105.08 | 216.802 | Kontio, A.; Coppens, P.; Stevens, E.D.; Brown, R.D.; Dwight, A.E.; Williams, J.M. New investigation of the structure of Mn4 Al11 Acta Crystallographica B (24,1968-38,1982), 1980, 36, 435-436 |
2107520 | CIF HKL Paper | Se Sn0.9816 | C m c m | 4.29978; 11.71878; 4.31479 90; 90; 90 | 217.414 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
2104045 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.2967; 6.51; 6.615 84.59; 77.73; 77.76 | 217.53 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2104044 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.2976; 6.516; 6.612 84.6; 77.73; 77.75 | 217.66 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2104043 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.2976; 6.523; 6.607 84.63; 77.72; 77.75 | 217.73 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2104042 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.2977; 6.527; 6.604 84.65; 77.71; 77.75 | 217.76 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2104041 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.2988; 6.538; 6.602 84.66; 77.7; 77.76 | 218.11 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2106252 | CIF | N2 Te Th2 | I 4/m m m | 4.0939; 4.0939; 13.014 90; 90; 90 | 218.115 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X= Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
2104039 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.2989; 6.544; 6.596 84.74; 77.7; 77.74 | 218.12 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2104040 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.2993; 6.5396; 6.6 84.7; 77.7; 77.75 | 218.12 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2104038 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.2998; 6.5521; 6.593 84.78; 77.69; 77.73 | 218.32 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2104037 | CIF HKL Paper | Na O6 Si2 Ti | P -1 | 5.3019; 6.5645; 6.589 84.83; 77.69; 77.71 | 218.68 | Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K) Acta Crystallographica Section B, 2003, 59, 730-746 |
2107090 | CIF | Fe Lu O3 | P b n m | 5.213; 5.547; 7.565 90; 90; 90 | 218.753 | Marezio, M.; Remeika, J.P.; Dernier, P.D. The Crystal Chemistry of the Rare Earth Orthoferrites Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2008-2022 |
2106920 | CIF | Ge Pt Se | P c a 21 | 6.015; 6.072; 5.992 90; 90; 90 | 218.846 | Entner, P.; Parthe, E. Pt Ge Se with cobaltite structure, a ternary variant of the pyrite structure Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1557-1560 |
2106624 | CIF | F5 H12 N3 O2 W | P m -3 m | 6.0298; 6.0298; 6.0298 90; 90; 90 | 219.234 | Udovenko, Anatoly; Laptash, Natalia Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder Acta Crystallographica Section B, 2015, 71, 478-483 |
2107089 | CIF | Fe O3 Yb | P b n m | 5.233; 5.557; 7.57 90; 90; 90 | 220.134 | Marezio, M.; Dernier, P.D.; Remeika, J.P. The Crystal Chemistry of the Rare Earth Orthoferrites Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2008-2022 |
2106026 | CIF | Ce2 O2 Sb | I 4/m m m | 4.012; 4.012; 13.697 90; 90; 90 | 220.469 | Benz, R. Ce2 O2 Sb, Ce2 O2 Bi crystal structure Acta Crystallographica B (24,1968-38,1982), 1971, 27, 853-854 |
1008062 | CIF | Ba S3 V | P 63/m m c | 6.7283; 6.7283; 5.6263 90; 90; 120 | 220.6 | Ghedira, M; Chenavas, J; Sayetat, F; Marezio, M; Massenet, O; Mercier, J Structural aspects of the hexagonal to orthorhombic transition in stoichiometric Ba V S~3~ Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1491-1496 |
2100507 | CIF Paper | C2 Cu F6 O6 S2 | P -1 | 4.98965; 10.7668; 4.82189 103.523; 118.085; 79.459 | 221.402 | Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473 |
2106827 | CIF | Co Mo2 S4 | C 1 2/m 1 | 13.091; 3.277; 5.897 90; 118.91; 90 | 221.451 | Anzenhofer, K.; de Boer, J.J. Refinement of crystal structure of Co Mo2 S4 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1419-1420 |
2106039 | CIF | H12 N6 Rb2 Sn | P -3 | 6.66; 6.66; 5.77 90; 90; 120 | 221.643 | Chevalier, P.; Ritsma, J.; Rouxel, J. Structure de Rb2 Sn (N H2)6 et K2 Sn (N H2)6 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1076-1079 |
2106220 | CIF | Na2 S | P n m a | 6.707; 4.12; 8.025 90; 90; 90 | 221.754 | Vegas, A.; Grzechnik, A.; Syassen, K.; Hanfland, M.; Loa, I.; Jansen, M. Reversible phase transitions in Na2 S under pressure: a comparison with the cation array in Na2 S O4 Acta Crystallographica B (39,1983-), 2001, 57, 151-156 |
2106231 | CIF | Al2 Ba2 H10 O10 | P -1 | 6.704; 5.758; 6.179 90.07; 98.42; 109.6 | 221.953 | Ahmed, A.H.M.; Dent Glasser, L.S. Barium aluminate hydrates. II. The crystal structure of Ba2 (Al2 (O H)10) Acta Crystallographica B (24,1968-38,1982), 1970, 26, 867-871 |
2100513 | CIF Paper | Al Ca2 Nb O6 | P 1 21/n 1 | 5.37706; 5.41557; 7.6255 90; 89.97; 90 | 222.053 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
2107088 | CIF | Fe O3 Tm | P b n m | 5.251; 5.576; 7.584 90; 90; 90 | 222.056 | Marezio, M.; Remeika, J.P.; Dernier, P.D. The Crystal Chemistry of the Rare Earth Orthoferrites Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2008-2022 |
2106161 | CIF | Cu0.25 Ga0.25 Te Zn0.5 | F -4 3 m | 6.057; 6.057; 6.057 90; 90; 90 | 222.215 | Parthe, E.; Yvon, K.; Deich, R.H. The crystal structure of Cu2 Cd Ge S4 and other quaternary normal tetrahedral structure compounds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1164-1174 |
2106251 | CIF | N2 Sb Th2 | I 4/m m m | 4.049; 4.049; 13.57 90; 90; 90 | 222.472 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X=Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
2107087 | CIF | Er Fe O3 | P b n m | 5.263; 5.582; 7.591 90; 90; 90 | 223.009 | Marezio, M.; Remeika, J.P.; Dernier, P.D. The Crystal Chemistry of the Rare Earth Orthoferrites Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2008-2022 |
2106058 | CIF | As Cl Cu2 O4 | P 1 21/m 1 | 6.877; 6.589; 4.929 90; 91.12; 90 | 223.303 | Rea, J.R.; Anderson, J.B.; Kostiner, E. The crystal structures of copper chloroarsenate and cobalt chloroarsenate, Cu2 (As O4) Cl and Co2 (As O4) Cl Acta Crystallographica B (24,1968-38,1982), 1977, 33, 975-979 |
2101077 | CIF Paper | Cr2 K3 Na O8 | P -3 m 1 | 5.857; 5.857; 7.521 90; 90; 120 | 223.44 | Fábry, J.; Breczewski, T.; Madariaga, G. Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K Acta Crystallographica Section B, 1994, 50, 13-22 |
2106025 | CIF | Bi Ce2 O2 | I 4/m m m | 4.034; 4.034; 13.736 90; 90; 90 | 223.528 | Benz, R. Ce2 O2 Sb, Ce2 O2 Bi crystal structure Acta Crystallographica B (24,1968-38,1982), 1971, 27, 853-854 |
2106059 | CIF | As Cl Co2 O4 | P 1 21/m 1 | 6.88; 6.593; 4.932 90; 91.12; 90 | 223.672 | Rea, J.R.; Anderson, J.B.; Kostiner, E. The crystal structures of copper chloroarsenate and cobalt chloroarsenate, Cu2 (As O4) Cl and Co2 (As O4) Cl Acta Crystallographica B (24,1968-38,1982), 1977, 33, 975-979 |
2101386 | CIF Paper | Fe O3 Y | P n m a | 5.5877; 7.5951; 5.2743 90; 90; 90 | 223.837 | du Boulay, D.; Maslen, E. N.; Streltsov, V. A.; Ishizawa, N. A synchrotron X-ray study of the electron density in YFeO~3~ Acta Crystallographica Section B, 1995, 51, 921-929 |
2105437 | CIF | B4 La | P 4/m b m | 7.324; 7.324; 4.181 90; 90; 90 | 224.273 | Kato, K.; Kawai, S.; Oshima, C.; Kawada, I. Lanthanum tetraboride Acta Crystallographica B (24,1968-38,1982), 1974, 30, 2933-2934 |
2107086 | CIF | Fe Ho O3 | P b n m | 5.278; 5.591; 7.602 90; 90; 90 | 224.33 | Marezio, M.; Remeika, J.P.; Dernier, P.D. The Crystal Chemistry of the Rare Earth Orthoferrites Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2008-2022 |
2106451 | CIF | C2 H3 Na O5 | P -1 | 6.5032; 6.6728; 5.6982 85.036; 109.997; 105.016 | 224.428 | Tellgren, R.; Thomas, J.O.; Olovsson, I. Hydrogen bond studies. CX. A neutron diffraction and deformation electron density study of sodium hydrogen oxalate monohydrate, Na H C2 O4 (H2 O) Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3500-3504 |
2100812 | CIF Paper | Ca O3 Ti | P b n m | 5.388; 5.447; 7.654 90; 90; 90 | 224.63 | Buttner, R. H.; Maslen, E. N. Electron difference density and structural parameters in CaTiO~3~ Acta Crystallographica Section B, 1992, 48, 644-649 |
2102787 | CIF Paper | Ca3.333 Nb2.666 O11.333 Ti0.667 | 7.6889; 5.3381; 5.4763 90; 90; 89.921 | 224.77 | Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6) Acta Crystallographica Section B, 2007, 63, 183-189 | |
2106857 | CIF | Ba N6 | P 1 21/m 1 | 9.59; 4.39; 5.42 90; 99.75; 90 | 224.887 | Choi, C.S. Neutron diffraction study of Ba (N3)2 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 2638-2644 |
2102788 | CIF Paper | Ca3.429 Nb2.606 O11.429 Ti0.823 | 7.6805; 5.3641; 5.4653 90; 90; 90.036 | 225.165 | Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6) Acta Crystallographica Section B, 2007, 63, 183-189 | |
2104622 | CIF Paper | K N O3 | R 3 m :H | 5.4325; 5.4325; 8.8255 90; 90; 120 | 225.56 | Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R. Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~ Acta Crystallographica Section B, 2009, 65, 659-663 |
2310735 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.827; 5.218; 5.537 90; 90; 90.02 | 226.1 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2106253 | CIF | Bi N2 Th2 | I 4/m m m | 4.075; 4.075; 13.62 90; 90; 90 | 226.169 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X=Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
2102847 | CIF Paper | Bi1.6 Ge1.6 Te4 | F m -3 m | 6.0932; 6.0932; 6.0932 90; 90; 90 | 226.22 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system Acta Crystallographica, Section B, 2007, 63, 346-352 |
2003125 | CIF HKL Paper | Dy Fe O3 | P n m a | 5.5957; 7.629; 5.3009 90; 90; 90 | 226.29 | Streltsov, V. A.; Ishizawa, N. Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy) Acta Crystallographica Section B, 1999, 55, 1-7 |
2100840 | CIF Paper | C2 H2 | P a -3 | 6.094; 6.094; 6.094 90; 90; 90 | 226.31 | McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B, 1992, 48, 726-731 |
2310736 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8266; 5.2203; 5.5404 90; 90; 89.988 | 226.37 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310737 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8295; 5.2213; 5.5418 90; 90; 89.994 | 226.55 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2100426 | CIF Paper | Ba1.117 Ni0.117 O3 Rh0.883 | R-3m(00\g)0s | 10.0576; 10.0576; 2.5862 90; 90; 120 | 226.56 | Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure Acta Crystallographica Section B, 2006, 62, 197-204 |
2310738 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8339; 5.2222; 5.5444 90; 90; 90.007 | 226.82 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2103119 | CIF Paper | C Ca O3 | P -1 | 5.7394; 4.9616; 7.97 89.999; 90.012; 89.996 | 226.96 | Bevan, D. J. M.; Rossmanith, Elisabeth; Mylrea, Darren K.; Ness, Sharon E.; Taylor, Max R.; Cuff, Chris On the structure of aragonite – Lawrence Bragg revisited Acta Crystallographica, Section B: Structural Science, 2002, 58, 448-456 |
2310739 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.837; 5.2237; 5.5459 90; 90; 90.001 | 227.04 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2100187 | CIF Paper | C Ca O3 | P m c n | 4.96183; 7.96914; 5.742852 90; 90; 90 | 227.081 | Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B, 2005, 61, 129-132 |
2310740 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8394; 5.2244; 5.5468 90; 90; 89.997 | 227.18 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2100842 | CIF Paper | C2 D2 | P a -3 | 6.102; 6.102; 6.102 90; 90; 90 | 227.2 | McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B, 1992, 48, 726-731 |
2310741 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8422; 5.2254; 5.5484 90; 90; 89.998 | 227.37 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2100841 | CIF Paper | C2 H2 | P a -3 | 6.105; 6.105; 6.105 90; 90; 90 | 227.54 | McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B, 1992, 48, 726-731 |
2103098 | CIF Paper | Cl2 H4 Mg O2 | C 1 2/m 1 | 7.389; 8.55; 3.6488 90; 98.96; 90 | 227.69 | Kaduk, James A. Use of the Inorganic Crystal Structure Database as a problem solving tool Acta Crystallographica, Section B: Structural Science, 2002, 58, 370-379 |
2100925 | CIF Paper | Al2 Be O4 | P n m a | 9.4019; 5.4746; 4.4259 90; 90; 90 | 227.81 | Pilati, T.; Demartin, F.; Cariati, F.; Bruni, S.; Gramaccioli, C. M. Atomic thermal parameters and thermodynamic functions for chrysoberyl (BeAl~2~O~4~) from vibrational spectra and transfer of empirical force fields Acta Crystallographica Section B, 1993, 49, 216-222 |
2101023 | CIF Paper | K3 Na O8 Se2 | P -3 m 1 | 5.906; 5.906; 7.552 90; 90; 120 | 228.13 | Fábry, J.; Breczewski, T.; Petrícek, V. Structure determination of the ferroelastic triple-twinned phase of K~3~Na(SeO~4~)~2~ at 291 K and its parent phase at 390 K Acta Crystallographica Section B, 1993, 49, 826-832 |
2105438 | CIF | B4 La Ru4 | P 42/n :2 | 7.541; 7.541; 4.012 90; 90; 90 | 228.149 | Gruettner, A.; Yvon, K. Lanthanum ruthenium boride, La Ru4 B4 Acta Crystallographica B (24,1968-38,1982), 1979, 35, 451-453 |
2102848 | CIF Paper | Bi1.6 Ge1.6 Te4 | F m -3 m | 6.1109; 6.1109; 6.1109 90; 90; 90 | 228.2 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system Acta Crystallographica, Section B, 2007, 63, 346-352 |
2310742 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.821; 5.2697; 5.5468 90; 90; 90.02 | 228.61 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310743 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8248; 5.2721; 5.5483 90; 90; 90.007 | 228.88 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310744 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8267; 5.2714; 5.5503 90; 90; 90.019 | 228.99 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310745 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8302; 5.2737; 5.5518 90; 90; 90.001 | 229.26 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310747 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8339; 5.2752; 5.552 90; 90; 89.99 | 229.44 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2101925 | CIF Paper | O3 Ti Y | P n m a | 5.69; 7.583; 5.318 90; 90; 90 | 229.5 | Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J. Electron Density in YTiO~3~ Acta Crystallographica Section B, 1997, 53, 739-744 |
2310748 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8379; 5.2768; 5.5545 90; 90; 89.996 | 229.73 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2103726 | CIF HKL Paper | C4 H4 N2 O2 | P -1 | 5.8181; 5.8; 7.309 78.8; 99.36; 107.13 | 229.75 | Katrusiak, Andrzej Polymorphism of maleic hydrazide. I Acta Crystallographica Section B, 2001, 57, 697-704 |
2310746 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8367; 5.2775; 5.5561 90; 90; 90.044 | 229.79 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2102790 | CIF Paper | Cl2 H4 Mg O2 | C 1 2/m 1 | 7.4279; 8.5736; 3.65065 90; 98.58; 90 | 229.89 | Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson Crystal structures of dehydration products of Bischofite, MgCl2 nH2O (n = 1, 2, 4) from in situ synchrotron powder diffraction data Acta Crystallographica, Section B, 2007, 63, 235-242 |
2100514 | CIF Paper | Ca2 Cr O6 Ta | P 1 21/n 1 | 5.42609; 5.49922; 7.71863 90; 90.017; 90 | 230.318 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
2103035 | CIF Paper | Cl H13 Mg3 O9 | P 1 2/m 1 | 9.6412; 3.1506; 8.3035 90; 113.986; 90 | 230.44 | Sugimoto, Kunihisa; E. Dinnebier, Robert; Schlecht, Thomas Structure determination of Mg~3~(OH)~5~Cl·4H~2~O (F5 phase) from laboratory powder diffraction data and its impact on the analysis of problematic magnesia floors Acta Crystallographica Section B, 2007, 63, 805-811 |
2101923 | CIF Paper | O3 Ti Y | P n m a | 5.689; 7.6094; 5.335 90; 90; 90 | 230.95 | Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J. Electron Density in YTiO~3~ Acta Crystallographica Section B, 1997, 53, 739-744 |
2101924 | CIF Paper | O3 Ti Y | P n m a | 5.6901; 7.613; 5.3381 90; 90; 90 | 231.24 | Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J. Electron Density in YTiO~3~ Acta Crystallographica Section B, 1997, 53, 739-744 |
2107085 | CIF | Eu Fe O3 | P b n m | 5.372; 5.606; 7.685 90; 90; 90 | 231.437 | Marezio, M.; Remeika, J.P.; Dernier, P.D. The crystal chemistry of the rare earth orthoferrites Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2008-2022 |
1001180 | CIF | In6 O12 W | R -3 :R | 6.2277; 6.2277; 6.2277 99.01; 99.01; 99.01 | 231.5 | Michel, D; Kahn, A The Structure of Indium Tungstate In~6~ W O~12~: Its Relation with the Fluorite Structure Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1437-1441 |
1001011 | CIF | Br2 Ca H12 O6 | P 3 2 1 | 8.164; 8.164; 4.016 90; 90; 120 | 231.8 | Leclaire, A; Borel, M M Le dichlorure et le dibromure de calcium hexahydrates Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2938-2940 |
2100902 | CIF Paper | Cr Li O4 Rb | P 3 1 c | 5.4021; 5.4021; 9.175 90; 90; 120 | 231.88 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
2105410 | CIF | B3 Cl6 N3 | R -3 :R | 6.151; 6.151; 6.151 91.8; 91.8; 91.8 | 232.37 | Mueller, U. Die Kristallstruktur von Hexachloroborazol Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1997-2003 |
2104125 | CIF Paper | Cr0.3 La Ni0.7 O3 | P b n m | 5.5032; 5.4612; 7.7407 90; 90; 90 | 232.64 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
2108695 | CIF | Ca0.4 Fe Nd0.6 O3 | P n m a | 5.533425; 7.725984; 5.448728 90; 90; 90 | 232.939 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2104621 | CIF Paper | K N O3 | R 3 m :H | 5.4698; 5.4698; 8.992 90; 90; 120 | 232.99 | Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R. Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~ Acta Crystallographica Section B, 2009, 65, 659-663 |
2101216 | CIF Paper | B Ba Cu La O5 | P 4 b m | 5.5743; 5.5743; 7.5053 90; 90; 90 | 233.21 | Norrestam, R.; Kritikos, M.; Sjödin, A. On the structure and properties of the layered lanthanide (Ln) barium copper oxyborates, LnBaCuO~2~BO~3~ Acta Crystallographica Section B, 1994, 50, 631-636 |
2106764 | CIF | Cu Se | P 63/m m c | 3.952; 3.952; 17.244 90; 90; 120 | 233.24 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
2100903 | CIF Paper | Cr Li O4 Rb | P 3 1 c | 5.423; 5.423; 9.161 90; 90; 120 | 233.32 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
2108751 | CIF HKL | C3 H7 Na O | P 4/n m m :2 | 4.38439; 4.38439; 12.1431 90; 90; 90 | 233.425 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
9015332 | CIF | Hg I2 | P 42/n m c :2 | 4.358; 4.358; 12.3 90; 90; 90 | 233.604 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 10 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
9014462 | CIF | Hg I2 | P 42/n m c :2 | 4.358; 4.358; 12.306 90; 90; 90 | 233.718 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 30 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
2101610 | CIF Paper | K Li O5 Si2 | P 1 21 1 | 5.9803; 4.7996; 8.1599 90; 93.477; 90 | 233.78 | de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; van Wezel, W.; van der Mee, V. Structure of KLiSi~2~O~5~ and the hygroscopicity of glassy mixed alkali disilicates Acta Crystallographica Section B, 1996, 52, 770-776 |
2104123 | CIF Paper | Cr0.7 La Ni0.3 O3 | P b n m | 5.5094; 5.474; 7.7536 90; 90; 90 | 233.84 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
9014434 | CIF | Hg I2 | P 42/n m c :2 | 4.359; 4.359; 12.319 90; 90; 90 | 234.072 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 60 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
2104124 | CIF Paper | Cr0.4 La Ni0.6 O3 | P b n m | 5.518; 5.4735; 7.7529 90; 90; 90 | 234.16 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
1001038 | CIF | F6 Na2 U | P 3 | 6.112; 6.112; 7.24 90; 90; 120 | 234.2 | Cousson, A; Tabuteau, A; Pages, M; Gasperin, M Disodium uranium(IV) fluoride Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1198-1200 |
9011218 | CIF | N2 | P m -3 n | 6.164; 6.164; 6.164 90; 90; 90 | 234.201 | Cromer, D. T.; Mills, R. L.; Schiferl, D.; Schwalbe, L. A. The structure of N2 at 49 kbar and 299 K Sample: at T = 299 K and P = 4.9 GPa Note: model #4 Acta Crystallographica, Section B, 1981, 37, 8-11 |
2104121 | CIF Paper | Cr La O3 | P b n m | 5.5133; 5.4759; 7.7585 90; 90; 90 | 234.23 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
2106423 | CIF | As D4 Na O5 | P 1 21/m 1 | 5.865; 7.123; 5.619 90; 92.58; 90 | 234.504 | Rendle, D.F.; Trotter, J. Sodium dideuteriumarsenate monodeuterate Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2684-2686 |
9015723 | CIF | Hg I2 | P 42/n m c :2 | 4.36; 4.36; 12.337 90; 90; 90 | 234.521 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 100 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
2100904 | CIF Paper | Cr Li O4 Rb | P 3 1 c | 5.438; 5.438; 9.16 90; 90; 120 | 234.59 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
2106942 | CIF | S2 Ti | C 1 2/m 1 | 5.88; 3.409; 11.76 90; 95.29; 90 | 234.724 | van Smaalen, S.; Meetsma, A.; Wiegers, G.A.; de Boer, J.L. Determination of the modulated structure of the inorganic misfit layer compound (Pb S)1.18 Ti S2 Acta Crystallographica B (39,1983-), 1991, 47, 314-325 |
2002929 | CIF Paper | C12 H8 O4 | P -1 | 3.7061; 7.4688; 8.535 86.62; 85.49; 87.99 | 235 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
2106443 | CIF | Cr O3 | C 2 c m | 4.789; 8.557; 5.743 90; 90; 90 | 235.345 | Stephens, J.S.; Cruickshank, D.W.J. The crystal structure of (Cr O3)infinite Acta Crystallographica B (24,1968-38,1982), 1970, 26, 222-226 |
2108694 | CIF | Ca0.1 Fe Nd0.9 O3 | P n m a | 5.568011; 7.756535; 5.451495 90; 90; 90 | 235.442 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108699 | CIF | Ca0.5 Fe Nd0.5 O3 | P -1 | 5.56858; 7.757502; 5.451869 90; 90; 90 | 235.511 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2100905 | CIF Paper | Cr Li O4 Rb | P 3 1 c | 5.453; 5.453; 9.151 90; 90; 120 | 235.65 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
2106385 | CIF | F O Y | R -3 m :H | 3.797; 3.797; 18.89 90; 90; 120 | 235.854 | Mann, A.W.; Bevan, D.J.M. The crystal structure of stoichiometric yttrium oxyfluoride, Y O F Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2129-2131 |
9014330 | CIF | Hg I2 | P 42/n m c :2 | 4.365; 4.365; 12.389 90; 90; 90 | 236.05 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 200 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
2106195 | CIF | Fe0.23 In O2 Ti0.73 | C c m m | 5.835; 3.349; 12.082 90; 90; 90 | 236.099 | Michiue, Y.; Onoda, M.; Watanabe, M.; Brown, F.; Kimizuka, N. Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2 (x=0.61) composite crystal Acta Crystallographica B (39,1983-), 2001, 57, 458-465 |
9011215 | CIF | C4 H4 Cu Na2 O10 | P -1 | 3.583; 9.649; 7.549 109.07; 76.38; 103.32 | 236.358 | Chananont, P.; Nixon, P. E.; Waters, J. M.; Water, T. N. The structure of disodium catena-bis(mu-oxalato)-cuprate(II) dihydrate Acta Crystallographica, Section B, 1980, 36, 2145-2147 |
2003124 | CIF HKL Paper | Fe Nd O3 | P n m a | 5.5887; 7.7619; 5.4489 90; 90; 90 | 236.37 | Streltsov, V. A.; Ishizawa, N. Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy) Acta Crystallographica Section B, 1999, 55, 1-7 |
2100906 | CIF Paper | Cr Li O4 Rb | P 63 | 5.463; 5.463; 9.147 90; 90; 120 | 236.41 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
2106711 | CIF | Br4 K2 Pd | P 4/m m m | 7.409; 7.409; 4.309 90; 90; 90 | 236.535 | Martin, D.S.; Bonte, J.L.; Rush, R.M.; Jacobson, R.A. Potassium tetrabromopalladate(II) Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2538-2539 |
2108693 | CIF | Ca0.4 Fe La0.6 O3 | P n m a | 5.506428; 7.77618; 5.529845 90; 90; 90 | 236.782 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2104269 | CIF HKL Paper | Ca2 Co2.511 O6.138 | X2/m | 4.839; 4.553; 10.858 90; 98.12; 90 | 236.825 | Muguerra, Hervé; Grebille, Dominique Original disorder‒order transition related to electronic and magnetic properties in the thermoelectric misfit phase [Ca~2~CoO~3~][CoO~2~]~1.62~ Acta Crystallographica Section B, 2008, 64, 676-683 |
2104094 | CIF Paper | Ca2 Co2.496 O6.117 | X2/m | 4.8395; 4.5531; 10.8583 90; 98.124; 90 | 236.859 | Muguerra, Hervé; Grebille, Dominique; Bourée, Françoise Disordered misfit [Ca~2~CoO~3~][CoO~2~]~1.62~ structure revisited <i>via</i> a new intrinsic modulation Acta Crystallographica Section B, 2008, 64, 144-153 |
2100907 | CIF Paper | Cr Li O4 Rb | P 63 | 5.471; 5.471; 9.14 90; 90; 120 | 236.92 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
2100190 | CIF Paper | C12 D18 | P -1 | 6.1803; 6.1898; 6.1993 90.041; 90.129; 90.239 | 237.15 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
2107197 | CIF | C2 H6 N2 O4 | P 1 21/m 1 | 3.5792; 13.3228; 5.0965 90; 102.6; 90 | 237.174 | Thomas, J.O. Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1767-1776 |
9011180 | CIF | Al B O3 | R -3 c :H | 4.4638; 4.4638; 13.745 90; 90; 120 | 237.184 | Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 0-50 degree reflections Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609 |
9011181 | CIF | Al B O3 | R -3 c :H | 4.4638; 4.4638; 13.745 90; 90; 120 | 237.184 | Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 0-50 degree reflections, Al3+, O- Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609 |
9011182 | CIF | Al B O3 | R -3 c :H | 4.4638; 4.4638; 13.745 90; 90; 120 | 237.184 | Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 0-30 degree reflections Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609 |
9011183 | CIF | Al B O3 | R -3 c :H | 4.4638; 4.4638; 13.745 90; 90; 120 | 237.184 | Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 0-30 degree reflections, Al3+, O- Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609 |
9011184 | CIF | Al B O3 | R -3 c :H | 4.4638; 4.4638; 13.745 90; 90; 120 | 237.184 | Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 30-50 degree reflections Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609 |
9011185 | CIF | Al B O3 | R -3 c :H | 4.4638; 4.4638; 13.745 90; 90; 120 | 237.184 | Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 30-50 degree reflections, Al3+, O- Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609 |
2100737 | CIF Paper | Al0.16 N1.84 O1.16 Si1.84 | C m c 21 | 8.8967; 5.4947; 4.8581 90; 90; 90 | 237.49 | Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R. Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40 Acta Crystallographica Section B, 1991, 47, 672-678 |
9014655 | CIF | Hg I2 | P 42/n m c :2 | 4.37; 4.37; 12.437 90; 90; 90 | 237.508 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
2100736 | CIF Paper | Al0.1 N1.96 O1.1 Si1.9 | C m c 21 | 8.894; 5.4978; 4.8582 90; 90; 90 | 237.55 | Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R. Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40 Acta Crystallographica Section B, 1991, 47, 672-678 |
2101582 | CIF Paper | Nd0.33 O3 Ta | P 4 m m | 7.822; 7.822; 3.883 90; 90; 90 | 237.58 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2107198 | CIF | C2 D6 N2 O4 | P 1 21 1 | 3.5858; 13.3085; 5.1001 90; 102.488; 90 | 237.627 | Thomas, J.O. Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1767-1776 |
2100738 | CIF Paper | Al0.24 N1.76 O1.24 Si1.76 | C m c 21 | 8.9038; 5.4997; 4.8574 90; 90; 90 | 237.86 | Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R. Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40 Acta Crystallographica Section B, 1991, 47, 672-678 |
9015414 | CIF | Hg I2 | P 42/n m c :2 | 4.3675; 4.3675; 12.47 90; 90; 90 | 237.866 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, single crystal X-ray data Acta Crystallographica, Section B, 2007, 63, 828-835 |
2100739 | CIF Paper | Al0.3 N1.7 O1.3 Si1.7 | C m c 21 | 8.9161; 5.4956; 4.8574 90; 90; 90 | 238.01 | Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R. Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40 Acta Crystallographica Section B, 1991, 47, 672-678 |
2105435 | CIF | B4 Fe Sm | P b a m | 5.958; 11.53; 3.465 90; 90; 90 | 238.031 | Yvon, K.; Braun, H.F. Sm Fe B4 - A New Ternary Boride of the Y Cr B4 Type Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2400-2402 |
2102800 | CIF Paper | As4 H3 K O12 | P -1 | 5.154; 6.967; 7.532 63.9; 78.61; 84.35 | 238.08 | Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B, 2007, 63, 205-215 |
2107084 | CIF | Fe O3 Pr | P b n m | 5.482; 5.578; 7.786 90; 90; 90 | 238.085 | Marezio, M.; Remeika, J.P.; Dernier, P.D. The crystal chemistry of the rare earth orthoferrites Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2008-2022 |
2100740 | CIF Paper | Al0.4 N1.6 O1.4 Si1.6 | C m c 21 | 8.9239; 5.4982; 4.8599 90; 90; 90 | 238.45 | Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R. Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40 Acta Crystallographica Section B, 1991, 47, 672-678 |
2100191 | CIF Paper | C12 D18 | P -1 | 6.1934; 6.2008; 6.2102 90.012; 90.116; 90.266 | 238.49 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
2107145 | CIF | F S Y | P 63/m m c | 4.062; 4.062; 16.693 90; 90; 120 | 238.531 | Rysanek, N.; Loye, O. Structure cristalline de Y S F (beta) Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1567-1569 |
2310792 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6025; 8.2826; 4.5251 90; 105.4; 90 | 238.575 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310789 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6053; 8.2821; 4.5243 90; 105.416; 90 | 238.6 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310790 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6041; 8.2827; 4.5249 90; 105.406; 90 | 238.617 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310791 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6036; 8.283; 4.525 90; 105.403; 90 | 238.617 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310793 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6018; 8.2835; 4.526 90; 105.391; 90 | 238.633 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310788 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6082; 8.2821; 4.5238 90; 105.439; 90 | 238.652 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310794 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6011; 8.2839; 4.5266 90; 105.387; 90 | 238.655 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
1000051 | CIF | K N O3 | R 3 m :H | 5.487; 5.487; 9.156 90; 90; 120 | 238.7 | Nimmo, J. K.; Lucas, B. W. The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1968-1971 |
2310795 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.5998; 8.2845; 4.53 90; 105.335; 90 | 238.86 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2106394 | CIF | C Ca O3 | P 1 21/c 1 | 6.334; 4.948; 8.033 90; 107.9; 90 | 239.573 | Merrill, L.; Bassett, W.A. Crystal structure of Ca C O3(II), a high-pressure metastable phase calcium carbonate Acta Crystallographica B (24,1968-38,1982), 1975, 31, 343-349 |
2105446 | CIF Paper | C4 H10 O | P 1 | 5.10141; 5.53079; 9.0323 79.0266; 75.7579; 78.8261 | 239.586 | Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy Acta Crystallographica Section B, 2013, 69, 195-202 |
2105941 | CIF HKL Paper | C4 H10 O | P 1 | 5.10141; 5.53079; 9.0323 79.0266; 75.7579; 78.8261 | 239.586 | Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy Acta Crystallographica Section B, 2013, 69, 195-202 |
2100192 | CIF Paper | C12 D18 | P -1 | 6.2055; 6.212; 6.2214 90; 90.06; 90.195 | 239.82 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
2100193 | CIF Paper | C12 D18 | P -1 | 6.211; 6.219; 6.2257 90; 90.02; 90.17 | 240.47 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
2102017 | CIF Paper | Ce0.33333 Nb O3 | P 1 2/m 1 | 5.5267; 7.8824; 5.5245 90; 90.294; 90 | 240.664 | Bridges, C.; Greedan, J. E.; Barbier, J. Structure of the defect perovskite Ce~1/3~NbO~3~: a redetermination by electron and neutron powder diffraction Acta Crystallographica Section B, 2000, 56, 183-188 |
1008022 | CIF | F6 Mo | I 4 3 2 | 6.221; 6.221; 6.221 90; 90; 90 | 240.8 | Levy, J H; Sanger, P L; Taylor, J C; Wilson, P W The structures of fluorides. XI. Cubic harmonic analysis of the neutron diffraction pattern of the body-centred cubic phase of Mo F~6~ at 266 K Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1065-1067 |
2100194 | CIF Paper | C12 D18 | P -1 | 6.2157; 6.2221; 6.2284 90; 90.02; 90.139 | 240.88 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
2100195 | CIF Paper | C12 D18 | P -1 | 6.2183; 6.222; 6.2281 90.01; 90.03; 90.12 | 240.97 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
2106278 | CIF | Rh Sc Si2 | P n m a | 6.292; 4.025; 9.517 90; 90; 90 | 241.021 | Chabot, B.; Parthe, E.; Braun, H.F.; Yvon, K. Rhodium scandium disilicide Acta Crystallographica B (24,1968-38,1982), 1981, 37, 668-671 |
2100196 | CIF Paper | C12 D18 | P -1 | 5.236; 6.1845; 7.952 103.816; 98.46; 100.057 | 241.36 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
2107217 | CIF | K2 O3 Te | P -3 | 6.279; 6.279; 7.069 90; 90; 120 | 241.362 | Andersen, L.; Langer, V.; Stroemberg, A.; Stroemberg, D. The structure of K2 Te O3 - an experimental and theoretical study Acta Crystallographica B (39,1983-), 1989, 45, 344-348 |
2108692 | CIF | Ca0.1 Fe La0.9 O3 | P n m a | 5.558528; 7.837216; 5.547272 90; 90; 90 | 241.658 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108697 | CIF | Ca0.5 Fe La0.5 O3 | P -1 | 5.570218; 7.839117; 5.545738 90; 90; 90 | 242.158 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2104386 | CIF Paper | K0.05 Na0.95 Nb O3 | P 1 m 1 | 5.60123; 7.79834; 5.548 90; 90.051; 90 | 242.338 | Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B, 2009, 65, 291-299 |
2100716 | CIF Paper | C6 H5 O2 | P 1 21/c 1 | 3.77; 5.98; 11.458 90; 109.99; 90 | 242.8 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
2106085 | CIF | Pt Sc2 | P n m a | 6.592; 4.491; 8.206 90; 90; 90 | 242.936 | Chabot, B.; Parthe, E. Sc2 Pt with orthorhombic Ni2 Si structure type Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1745-1746 |
2106098 | CIF | Gd0.2 Ni Tb0.8 | P 1 21/m 1 | 10.67; 4.195; 5.475 90; 97.3; 90 | 243.078 | Klepp, K.; Parthe, E. Fe B - Cr B stacking invariants in the system Gd Ni - Tb Ni Acta Crystallographica B (24,1968-38,1982), 1981, 37, 495-499 |
2022049 | CIF | C H3 O3 | P 1 21/c 1 | 6.0889; 3.487; 11.8299 90; 103.93; 90 | 243.786 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2105376 | CIF | Ag5 La | P 63/m m c | 5.569; 5.569; 9.0775 90; 90; 120 | 243.81 | McMasters, O.D.; Venteicher, R.F.; Gschneidner, K.A.jr. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1224-1229 |
2105329 | CIF HKL Paper | C3 H8 N2 O | P 21 21 2 | 10.8522; 4.9102; 4.5766 90; 90; 90 | 243.87 | Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea Acta Crystallographica Section B, 2013, 69, 70-76 |
2100518 | CIF HKL Paper | C4 H7 N O2 | P 1 21 1 | 6.27983; 7.83799; 5.46295 90; 114.893; 90 | 243.913 | Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data Acta Crystallographica Section B, 2006, 62, 606-611 |
2102659 | CIF Paper | Cr F3 | R -3 c :H | 4.6265; 4.6265; 13.163 90; 90; 120 | 244 | Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I. The compression mechanism of CrF~3~ Acta Crystallographica Section B, 2004, 60, 669-673 |
2022068 | CIF | C H3 O3 | P 1 21/c 1 | 6.091; 3.4928; 11.8372 90; 103.901; 90 | 244.46 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2106173 | CIF | K1.9996 O4 S0.5 | P 63/m m c | 5.9; 5.9; 8.11 90; 90; 120 | 244.487 | van den Berg, A.J.; Tuinstra, F. The space group and structure of alpha-K2 S O4 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3177-3181 |
2022022 | CIF | C H3 O3 | P 1 21/c 1 | 6.095; 3.4881; 11.8462 90; 103.842; 90 | 244.54 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022077 | CIF | C H3 O3 | P 1 21/c 1 | 6.0893; 3.4965; 11.8311 90; 103.883; 90 | 244.54 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022055 | CIF | C H3 O3 | P 1 21/c 1 | 6.0903; 3.4959; 11.8348 90; 103.917; 90 | 244.579 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022054 | CIF | C H3 O3 | P 1 21/c 1 | 6.0931; 3.4921; 11.8409 90; 103.842; 90 | 244.63 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108998 | CIF | C2 H6 O6 | P 1 21/c 1 | 6.0931; 3.4921; 11.8409 90; 103.842; 90 | 244.63 | Davidson, Max L.; Grabowsky, Simon; Jayatilaka, Dylan X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate Acta Crystallographica Section B, 2022, 78, 397-415 |
2106065 | CIF | B Li3 O3 | P 1 21/c 1 | 3.265; 9.18; 8.316 90; 101.05; 90 | 244.632 | Stewner, F. Die Kristallstruktur von alpha-Li3 B O3 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 904-910 |
2022007 | CIF | C H3 O3 | P 1 21/c 1 | 6.092; 3.4919; 11.8481 90; 103.898; 90 | 244.66 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022041 | CIF | C H3 O3 | P 1 21/c 1 | 6.0937; 3.4929; 11.8533 90; 103.948; 90 | 244.85 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022033 | CIF | C H3 O3 | P 1 21/c 1 | 6.0939; 3.4965; 11.8441 90; 103.951; 90 | 244.92 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2100515 | CIF Paper | Cr O6 Sr2 Ta | I 4/m | 5.57516; 5.57516; 7.8808 90; 90; 90 | 244.954 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
2022019 | CIF | C H3 O3 | P 1 21/c 1 | 6.0954; 3.4948; 11.8499 90; 103.939; 90 | 244.996 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022032 | CIF | C H3 O3 | P 1 21/c 1 | 6.0988; 3.4954; 11.8455 90; 103.927; 90 | 245.096 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022060 | CIF | C H3 O3 | P 1 21/c 1 | 6.0988; 3.497; 11.8494 90; 103.922; 90 | 245.294 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2102658 | CIF Paper | Cr F3 | R -3 c :H | 4.6382; 4.6382; 13.172 90; 90; 120 | 245.4 | Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I. The compression mechanism of CrF~3~ Acta Crystallographica Section B, 2004, 60, 669-673 |
2101147 | CIF Paper | C2 D6 O6 | P 1 21/n 1 | 6.13661; 3.47501; 11.97044 90; 105.978; 90 | 245.406 | Lehmann, A.; Luger, P.; Lehmann, C. W.; Ibberson, R. M. Oxalic acid dihydrate – an accurate low-temperature structural study using high-resolution neutron powder diffraction Acta Crystallographica Section B, 1994, 50, 344-348 |
2100516 | CIF Paper | Ga O6 Sr2 Ta | I 4/m | 5.57539; 5.57539; 7.8949 90; 90; 90 | 245.413 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
2101591 | CIF Paper | Mn O6 Sb Sr2 | I 4 m m | 5.526; 5.526; 8.039 90; 90; 90 | 245.48 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2105666 | CIF Paper | C2 H6 O6 | P 1 21/n 1 | 6.1024; 3.4973; 11.9586 90; 105.771; 90 | 245.612 | Martin, A.; Pinkerton, A. A. Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited Acta Crystallographica Section B, 1998, 54, 471-477 |
2105667 | CIF Paper | C2 H6 O6 | P 1 21/n 1 | 6.1024; 3.4973; 11.9586 90; 105.771; 90 | 245.612 | Martin, A.; Pinkerton, A. A. Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited Acta Crystallographica Section B, 1998, 54, 471-477 |
2105668 | CIF Paper | C2 H6 O6 | P 1 21/n 1 | 6.1024; 3.4973; 11.9586 90; 105.771; 90 | 245.612 | Martin, A.; Pinkerton, A. A. Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited Acta Crystallographica Section B, 1998, 54, 471-477 |
2021890 | CIF Paper | B2 O5 Sr2 | P 1 21/c 1 | 3.882; 5.3386; 11.875 90; 92.64; 90 | 245.84 | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056 |
2100561 | CIF Paper | La O3 Ti0.5 Zn0.5 | P 1 21/n 1 | 7.895; 5.5964; 5.5809 90; 90.034; 90 | 246.584 | R. Ubic; Y. Hu; I. Abrahams Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~ perovskite Acta Crystallographica Section B, 2006, 62, 521-529 |
2106097 | CIF | Gd0.7 Ni Y0.3 | P 1 21/m 1 | 10.76; 4.194; 5.508 90; 96.98; 90 | 246.72 | Klepp, K.; Parthe, E. Fe B - Cr B stacking variations for rare-earth-nickel alloys in the quasi-binary sections R1-x Rx Ni Acta Crystallographica B (24,1968-38,1982), 1980, 36, 774-782 |
2101148 | CIF Paper | C2 D6 O6 | P 1 21/n 1 | 6.13338; 3.50018; 11.98334 90; 106.06; 90 | 247.218 | Lehmann, A.; Luger, P.; Lehmann, C. W.; Ibberson, R. M. Oxalic acid dihydrate – an accurate low-temperature structural study using high-resolution neutron powder diffraction Acta Crystallographica Section B, 1994, 50, 344-348 |
2100229 | CIF HKL Paper | C10 H16 N2 O2 | P -1 | 5.706; 6.7599; 7.0771 100.269; 112.446; 90.163 | 247.5 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
2021892 | CIF Paper | B2 O5 Sr2 | P -1 | 3.9001; 5.3685; 11.8671 89.994; 92.008; 90.038 | 248.32 | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056 |
2102804 | CIF Paper | As4 H3 O12 Rb | P -1 | 5.169; 7.036; 7.766 63.31; 79.87; 84.38 | 248.36 | Schwendtner, Karolina; Kolitsch, Uwe Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members Acta Crystallographica Section B, 2007, 63, 205-215 |
9015404 | CIF | Ca O3 Sn | P b n m | 5.532; 5.681; 7.906 90; 90; 90 | 248.464 | Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A. The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172 |
2102657 | CIF Paper | Cr F3 | R -3 c :H | 4.6639; 4.6639; 13.192 90; 90; 120 | 248.51 | Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I. The compression mechanism of CrF~3~ Acta Crystallographica Section B, 2004, 60, 669-673 |
2102303 | CIF HKL Paper | C4 H10 N2 | P 1 21/n 1 | 6.0079; 5.192; 8.407 90; 108.254; 90 | 249.04 | Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon Structures of piperazine, piperidine and morpholine Acta Crystallographica Section B, 2004, 60, 219-227 |
9011198 | CIF | Mn3.28 Ni1.01 Si0.71 | P 21 3 | 6.292; 6.292; 6.292 90; 90; 90 | 249.096 | Shoemaker, C. B.; Shoemaker, D. P.; Hopkins, T. E.; Yindepit, S. Refinement of the structure of beta-manganese and of related phase in the Mn-Ni-Si system Acta Crystallographica, Section B, 1978, 34, 3573-3576 |
2021893 | CIF Paper | B2 O5 Sr2 | P 1 21/c 1 | 3.9125; 5.3699; 11.8732 90; 91.849; 90 | 249.323 | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056 |
2107413 | CIF | Ca F H4 O5 P | P -1 | 8.6497; 6.4614; 5.7353 119.003; 110.853; 94.146 | 249.943 | Perloff, A. The crystal structures of hydrated calcium and ammonium monofluorophosphates: Ca P O3 (H2 O)2 and (N H4)2 P O3 F (H2 O) Acta Crystallographica B (24,1968-38,1982), 1972, 28, 2183-2191 |
2106093 | CIF | Ni3 Sn4 | C 1 2/m 1 | 12.214; 4.06; 5.219 90; 105; 90 | 249.986 | Jeitschko, W.; Jaberg, B. Structure refinement of Ni3 Sn4 Acta Crystallographica B (24,1968-38,1982), 1982, 38, 598-600 |
2100715 | CIF Paper | C6 H5 O2 | P 1 21/c 1 | 3.8362; 5.998; 11.5007 90; 108.79; 90 | 250.52 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
1200013 | CIF | K N O3 | R -3 m :H | 5.425; 5.425; 9.836 90; 90; 120 | 250.7 | Nimmo, J. K.; Lucas, B. W. The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1968-1971 |
2310769 | CIF Paper | B3.704 O10.148 Si0.296 Sr4 | P n m a | 12.089; 3.8635; 5.378 90; 90; 90 | 251.184 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
2104863 | CIF HKL Paper | As2 Ni2 O7 | C1(\a\b\g)0 | 6.499; 8.4276; 4.7223 89.19; 103.28; 89.46 | 251.68 | Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B, 2010, 66, 603-614 |
2104132 | CIF HKL Paper | C2 H4 O | P 1 21/n 1 | 4.633; 8.4; 6.577 90; 100.37; 90 | 251.8 | Grabowsky, Simon; Weber, Manuela; Buschmann, Jürgen; Luger, Peter Experimental electron density study of ethylene oxide at 100K Acta Crystallographica Section B, 2008, 64, 397-400 |
9011197 | CIF | Mn | P 41 3 2 | 6.315; 6.315; 6.315 90; 90; 90 | 251.837 | Shoemaker, C. B.; Shoemaker, D. P.; Hopkins, T. E.; Yindepit, S. Refinement of the structure of beta-manganese and of related phase in the Mn-Ni-Si system Acta Crystallographica, Section B, 1978, 34, 3573-3576 |
2101049 | CIF Paper | O8 W3 | C 2 2 2 | 6.386; 10.43; 3.798 90; 90; 90 | 252.97 | Sundberg, M.; Zakharov, N. D.; Zibrov, I. P.; Barabanenkov, Yu. A.; Filonenko, V. P.; Werner, P. Two high-pressure tungsten oxide structures of W~3~O~8~ stoichiometry deduced from high-resolution electron microscopy images Acta Crystallographica Section B, 1993, 49, 951-958 |
2103528 | CIF | Ga5.5 La3 Nb0.5 O14 | P 3 2 1 | 7.68; 7.68; 4.97 90; 90; 120 | 253.9 | Pavlovska, 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 |
2101052 | CIF Paper | Al2 O3 | R -3 c :H | 4.754; 4.754; 12.982 90; 90; 120 | 254.09 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B, 1993, 49, 973-980 |
2101053 | CIF Paper | Al2 O3 | R -3 c :H | 4.754; 4.754; 12.982 90; 90; 120 | 254.09 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B, 1993, 49, 973-980 |
2101054 | CIF Paper | Al2 O3 | R -3 c :H | 4.754; 4.754; 12.982 90; 90; 120 | 254.09 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B, 1993, 49, 973-980 |
2101055 | CIF Paper | Al2 O3 | R -3 c :H | 4.754; 4.754; 12.982 90; 90; 120 | 254.09 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B, 1993, 49, 973-980 |
2101056 | CIF Paper | Al2 O3 | R -3 c :H | 4.754; 4.754; 12.982 90; 90; 120 | 254.09 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B, 1993, 49, 973-980 |
2312139 | CIF HKL | Co Ga0.15 Mg0.49 | R -3 m :H | 4.9296; 4.9296; 12.0744 90; 90; 120 | 254.11 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut A new ternary derivative of the Laves phases in the Mg-Co-Ga system. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79 |
9011231 | CIF | As2 O6 S | P 21 21 2 | 4.628; 11.497; 4.776 90; 90; 90 | 254.122 | Mercier, R.; Douglade, J. Affinement de la structure avec tunnels de paires E dans un oxysulfate d'arsenic: (As2O2)(SO4) Acta Crystallographica, Section B, 1982, 38, 896-898 |
9007634 | CIF | Al2 O3 | R -3 c :H | 4.754; 4.754; 12.99 90; 90; 120 | 254.248 | Ishizawa, N.; Miyata, T.; Minato, I.; Marumo, F.; Iwai, S. A structural investigation of alpha-Al2O3 at 2170 K T = 300 K Acta Crystallographica, Section B, 1980, 36, 228-230 |
2100647 | CIF Paper | F3 Fe | R -3 c :H | 4.6866; 4.6866; 13.3677 90; 90; 120 | 254.27 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
2100146 | CIF HKL Paper | C6 H5 F O | P 1 21 1 | 5.651; 5.0642; 9.3185 90; 107.518; 90 | 254.31 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
2310768 | CIF Paper | B3.376 O10.312 Si0.624 Sr4 | P n m a | 12.178; 3.8801; 5.387 90; 90; 90 | 254.55 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
2108902 | CIF HKL | C4 H8 Na O12 Rh | P -1 | 5.2554; 6.4584; 8.2102 97.796; 92.099; 112.113 | 254.612 | Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B, 2021, 77, 1048-1054 |
2102656 | CIF Paper | Cr F3 | R -3 c :H | 4.7189; 4.7189; 13.219 90; 90; 120 | 254.92 | Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I. The compression mechanism of CrF~3~ Acta Crystallographica Section B, 2004, 60, 669-673 |
2107099 | CIF | F Se Y | P n a m | 9.912; 6.314; 4.08 90; 90; 90 | 255.344 | Nguyen, H.D. Structure cristalline du fluoroseleniure d'yttrium orthorhombique Y Se F1O Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2095-2097 |
2107280 | CIF Paper | Br K O3 | R 3 m :H | 6.0104; 6.0104; 8.162 90; 90; 120 | 255.35 | Santamaría-Pérez, David; Chulia-Jordan, Raquel; Rodríguez-Hernández, Placida; Muñoz, Alfonso Crystal behavior of potassium bromate under compression Acta Crystallographica Section B, 2015, 71, 798-804 |
2103525 | CIF | Ga5.5 La3 Nb0.5 O14 | P 3 2 1 | 7.692; 7.692; 4.985 90; 90; 120 | 255.4 | Pavlovska, 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 |
9011242 | CIF | C2 Cu Na2 O6 | P 1 21/a 1 | 6.17; 8.171; 5.648 90; 116.24; 90 | 255.401 | Maslen, E. N.; Spadaccini, N.; Watson, K. J. Electron density in non-ideal metal complexes. II. Sodium bis(carbonato)cuprate(II) Acta Crystallographica, Section B, 1986, 42, 430-436 |
9011227 | CIF | B Cl H4 Na2 O4 | P 4/n m m :2 | 7.26; 7.26; 4.847 90; 90; 90 | 255.474 | Effenberger, H. Verfeinerung der kristallstruktur von synthetischem teepleit Acta Crystallographica, Section B, 1982, 38, 82-85 |
2103526 | CIF | Ga5.5 La3 Nb0.5 O14 | P 3 2 1 | 7.695; 7.695; 4.985 90; 90; 120 | 255.6 | Pavlovska, 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 |
2100674 | CIF Paper | As Ga O4 | P 3 | 8.2033195; 8.2033195; 4.3941092 90; 90; 120 | 256.083 | Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel Structural characterization of a new high-pressure phase of GaAsO~4~ Acta Crystallographica Section B, 2006, 62, 1019-1024 |
2022072 | CIF | C4 H4 N2 O S | P -1 | 4.2427; 5.9648; 10.5801 105.736; 94.912; 91.927 | 256.32 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2100546 | CIF Paper | C4 H4 N2 O S | P -1 | 4.2427; 5.9648; 10.5801 105.736; 94.912; 91.927 | 256.32 | Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B, 2006, 62, 612-626 |
1000049 | CIF | K2 O4 S | P 63/m m c | 5.947; 5.947; 8.375 90; 90; 120 | 256.5 | Miyake, M; Morikawa, H; Iwai, S I Structure Reinvestigation of the High-Temperature Form of K~2~ S O~4~ Acta Crystallographica B (24,1968-38,1982), 1980, 36, 532-536 |
2102695 | CIF HKL Paper | C4 H10 N2 | P 1 21/n 1 | 6.0817; 5.2501; 8.4646 90; 108.207; 90 | 256.74 | Loehlin, James H.; Okasako, Elizabeth L. N. Analysis of structures with saturated hydrogen bonding Acta Crystallographica Section B, 2007, 63, 132-141 |
6000092 | CIF | Co O6 Pb2 W | I2/m | 7.9602; 5.6779; 5.6967 90; 90.047; 90 | 257.47 | Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E. Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6 Acta Crystallographica B, 2000, 56, 570-576 |
2107015 | CIF | Ir La Si | P 21 3 | 6.363; 6.363; 6.363 90; 90; 90 | 257.624 | Klepp, K.O.; Parthe, E. La Ir Si with an ordered SrSi2 derivative structure Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1541-1544 |
2103497 | CIF Paper | C2 H3 N | C m c 21 | 6.187; 5.282; 7.887 90; 90; 90 | 257.7 | Enjalbert, 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 |
2100549 | CIF Paper | Cr2 O7 P2 | C2/m(\a0\g)0s | 7.0192; 8.4063; 4.6264 90; 108.611; 90 | 258.708 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
2104683 | CIF Paper | Cr2 O7 P2 | C2/m(\a0\g)-1s | 7.0192; 8.4063; 4.6264 90; 108.611; 90 | 258.708 | Li, Liang; Schönleber, Andreas; van Smaalen, Sander Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM) Acta Crystallographica Section B, 2010, 66, 130-140 |
2104684 | CIF HKL Paper | Cr2 O7 P2 | C2/m(\a0\g)0s | 7.0192; 8.4063; 4.6264 90; 108.611; 90 | 258.708 | Li, Liang; Schönleber, Andreas; van Smaalen, Sander Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM) Acta Crystallographica Section B, 2010, 66, 130-140 |
2100659 | CIF Paper | F3 Fe | R -3 c :H | 4.7202; 4.7202; 13.411 90; 90; 120 | 258.77 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
2310767 | CIF Paper | B3.041 O10.479 Si0.959 Sr4 | P n m a | 12.2774; 3.9006; 5.4091 90; 90; 90 | 259.038 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
2107041 | CIF | D3 Li O6 Se2 | P 1 n 1 | 6.2473; 7.903; 5.4471 90; 104.995; 90 | 259.779 | Liminga, R.; Tellgren, R. A Neutron Diffraction Study of the Ferroelectric State of Deuterated Lithium Trihydrogenselenite, Li D3 (Se O3)2 Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1551-1554 |
2100147 | CIF Paper | C6 H5 F O | P 1 21 1 | 5.6747; 5.076; 9.4753 90; 107.832; 90 | 259.82 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
2104862 | CIF HKL Paper | As2 Co2 O7 | C-1(\a\b\g)0 | 6.598; 8.523; 4.751 89.3; 103.359; 88.771 | 259.84 | Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B, 2010, 66, 603-614 |
1001006 | CIF | B2 K3 O12 Ta3 | P 3 1 m | 8.775; 8.775; 3.897 90; 90; 120 | 259.9 | Choisnet, J; Groult, D; Raveau, B; Gasperin, M Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1841-1845 |
1000492 | CIF | Al3 Cs2 F12 Na | R -3 m :R | 7.31; 7.31; 7.31 57.45; 57.45; 57.45 | 260 | Courbion, G; Jacoboni, C; de Pape, R Structure cristalline de Cs2 Na Al3 F12 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 3190-3193 |
2100550 | CIF Paper | Cr2 O7 P2 | C2/m(\a0\g)0s | 7.0464; 8.4073; 4.6394 90; 108.708; 90 | 260.322 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
2103078 | CIF Paper | C7 H6 Cl N3 O4 S2 | P 1 | 4.8499; 6.3694; 8.9106 74.401; 83.865; 80.524 | 260.93 | Broder, Charlotte K.; Fabbiani, Francesca P. A.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data Acta Crystallographica Section B, 2008, 64, 101-107 |
2106773 | CIF | Cu2 Mn3 O8 | C 1 2/m 1 | 9.695; 5.635; 4.912 90; 103.35; 90 | 261.098 | Riou, A.; Lecerf, A. Structure de Cu2 Mn3 O8 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1896-1900 |
2107100 | CIF | Ag H4 Na O5 S | P -1 | 5.949; 9.277; 5.465 101.06; 90.65; 117.29 | 261.349 | Niinisto, L.; Larsson, L.O. The crystal structure of silver sodium sulphite dihydrate Ag Na S O3 (H2 O)2 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 623-626 |
2100517 | CIF Paper | Nb O6 Sc Sr2 | P 1 21/n 1 | 5.7045; 5.6973; 8.0505 90; 90.021; 90 | 261.643 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
2103521 | CIF | Ga5.5 La3 Nb0.5 O14 | P 3 2 1 | 7.783; 7.783; 4.994 90; 90; 120 | 262 | Pavlovska, 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 | CIF | Ga5.5 La3 Nb0.5 O14 | P 3 2 1 | 7.783; 7.783; 4.994 90; 90; 120 | 262 | Pavlovska, 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 |
2101705 | CIF Paper | O4 Sb0.9 V1.1 | I 41 m d | 6.5174; 6.5174; 6.1734 90; 90; 90 | 262.224 | Landa-Cánovas, A. R.; Hansen, S.; Ståhl, K. Rutile Superstructure of Sb~0.9~V~1.1~O~4~ Acta Crystallographica Section B, 1997, 53, 221-230 |
2106316 | CIF | F8 H12 O6 Zr2 | P -1 | 5.948; 6.964; 7.572 90.55; 105.06; 118.72 | 262.245 | Gabela, F.; Kojic-Prodic, B.; Sljukic, M.; Ruzic Toros, Z. Refinement of the crystal structure of di-my-fluoro-hexafluorohexaaquadizirconium(IV), Zr2 F8 (H2 O)6 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3733-3736 |
2104861 | CIF HKL Paper | As2 O7 Zn2 | C2/m(\a0\g)0s | 6.7248; 8.4605; 4.7791 90; 105.319; 90 | 262.247 | Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B, 2010, 66, 603-614 |
2106554 | CIF | Eu0.5 Fe2 O4 Yb0.5 | R -3 m :H | 3.486; 3.486; 24.92 90; 90; 120 | 262.261 | Malaman, B.; Aubry, J.; Evrard, O.; Tannieres, N. Structure cristalline de la phase Yb0.5 Eu0.5 Fe2 O4 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1310-1312 |
2107016 | CIF | La Pt Si | I 41 m d | 4.249; 4.249; 14.539 90; 90; 90 | 262.487 | Klepp, K.O.; Parthe, E. R Pt Si phases (R = La, Ce, Pr, Nd, Sm and Gd) with an ordered Th Si2 derivative structure Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1105-1108 |
2101619 | CIF Paper | Cl2 H6 N2 Pd | P -1 | 6.5398; 6.8571; 6.3573 103.311; 102.454; 100.609 | 262.58 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B, 1996, 52, 909-916 |
2102655 | CIF Paper | Cr F3 | R -3 c :H | 4.786; 4.786; 13.237 90; 90; 120 | 262.58 | Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I. The compression mechanism of CrF~3~ Acta Crystallographica Section B, 2004, 60, 669-673 |
9014162 | CIF | O3 Sn Sr | P b n m | 5.707; 5.707; 8.064 90; 90; 90 | 262.643 | Vegas, A.; Vallet-Regi M; Gonzalez-Calbet J M; Alario-Franco M A The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172 |
9007675 | CIF | B H3 O3 | P -1 | 7.0187; 7.035; 6.3472 92.49; 101.46; 119.76 | 262.901 | Gajhede, M.; Larsen, S.; Rettrup, S. Electron density of orthoboric acid determined by X-ray diffraction at 105 K and ab initio calculations Note: multipole refinement Acta Crystallographica, Section B, 1986, 42, 545-552 |
1001007 | CIF | B2 K3 Nb3 O12 | P 3 1 m | 8.753; 8.753; 3.966 90; 90; 120 | 263.1 | Choisnet, J; Groult, D; Raveau, B; Gasperin, M Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1841-1845 |
2102170 | CIF Paper | Hf0.01 O24 Si Zr0.99 | I 41/a m d :2 | 6.618; 6.618; 6.019 90; 90; 90 | 263.6 | Ríos, Susana; Malcherek, Thomas; Salje, Ekhard K. H.; Domeneghetti, Chiara Localized defects in radiation-damaged zircon Acta Crystallographica Section B, 2000, 56, 947-952 |
2106723 | CIF | Co2 Mn3 O8 | P m n 21 | 5.743; 4.915; 9.361 90; 90; 90 | 264.231 | Riou, A.; Lecerf, A. Structure cristalline de Co2 Mn3 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2487-2490 |
2100644 | CIF Paper | F3 Fe | R -3 c :H | 4.7683; 4.7683; 13.4386 90; 90; 120 | 264.61 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
2103498 | CIF Paper | C2 H3 N | P 1 21/c 1 | 4.102; 8.244; 7.97 90; 100.1; 90 | 265.3 | Enjalbert, 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 |
2102145 | CIF Paper | Fe Mn O3.945 Yb0.963 | R -3 m :H | 3.458; 3.458; 25.647 90; 90; 120 | 265.59 | Nespolo, Massimo; Isobe, Mitsumasa; Iida, Junji; Kimizuka, Noboru Crystal structure and charge distribution of YbFeMnO~4~ Acta Crystallographica Section B, 2000, 56, 805-810 |
2105028 | CIF HKL Paper | C4 H6 O4 | P 1 21/n 1 | 3.7844; 11.751; 6.1753 90; 104.59; 90 | 265.76 | Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B, 2011, 67, 525-534 |
2312327 | CIF | Bi4 Pb4 S6 Te4 | P -3 m 1 | 4.25788; 4.25788; 16.9431 90; 90; 120 | 266.018 | Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494 |
2106568 | CIF | Ce1.8 In8 Rh0.98 | P 4/m m m | 4.66325; 4.66325; 12.23875 90; 90; 90 | 266.143 | Moshopoulou, E.G.; Ibberson, R.M.; Sarrao, J.L.; Fisk, Z.; Thompson, J.D. Structure of Ce2 Rh In8: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica B (39,1983-), 2006, 62, 173-189 |
2100453 | CIF Paper | Ce1.86 In8 Rh | P 4/m m m | 4.66516; 4.66516; 12.23763 90; 90; 90 | 266.336 | E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B, 2006, 62, 173-189 |
2109003 | CIF | C5 H5 N3 O | P 1 c 1 | 7.1818; 3.6295; 10.6533 90; 106.377; 90 | 266.43 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2104864 | CIF HKL Paper | As2 O7 Zn2 | C2/m(\a0\g)0s | 6.8601; 8.4366; 4.809 90; 106.564; 90 | 266.775 | Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B, 2010, 66, 603-614 |
9007599 | CIF | Mg2 O7 V2 | P -1 | 13.767; 5.414; 4.912 81.42; 106.82; 130.33 | 266.795 | Gopal, R.; Calvo, C. Crystal structure of magnesium divanadate, Mg2V2O7 Note: There is likely a minor typo in coordinates of O6 because bond lengths cannot be reproduced Acta Crystallographica, Section B, 1974, 30, 2491-2493 |
2106539 | CIF | Bi2 O6 U | C 1 2 1 | 6.872; 4.009; 9.69 90; 90.16; 90 | 266.957 | Koster, A.S.; Renaud, J.P.P.; Rieck, G.D. The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 127-131 |
2106504 | CIF | Cu O4 Te | P 1 21/n 1 | 5.5; 10.327; 4.704 90; 90; 90 | 267.18 | Falck, L.; Lindqvist, O.; Mark, W. The crystal structure of Cu Te O4 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1450-1453 |
2109005 | CIF | C5 H5 N3 O | P -1 | 5.1026; 5.7083; 9.8487 97.526; 98.499; 106.564 | 267.37 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
9007574 | CIF | Ni0.5 Pd Pt2.5 S4 | P 42/m | 6.38; 6.38; 6.57 90; 90; 90 | 267.428 | Childs, J. D.; Hall, S. R. The crystal structure of braggite, (Pt,Pd,Ni)S Acta Crystallographica, Section B, 1973, 29, 1446-1451 |
2105027 | CIF HKL Paper | C4 H6 O4 | P 1 21/n 1 | 3.8083; 11.742; 6.1664 90; 104.06; 90 | 267.48 | Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B, 2011, 67, 525-534 |
2107637 | CIF Paper | In Mo4 O6 | P 4/m b m | 9.6664; 9.6664; 2.8645 90; 90; 90 | 267.66 | Schultz, Peter; Simon, Arndt; Oeckler, Oliver Modulated crystal structure of InMo~4~O~6~ Acta Crystallographica Section B, 2016, 72, 642-649 |
2101570 | CIF Paper | Ce2 Ga15 Pt6 | P 63/m m c | 4.3259; 4.3259; 16.522 90; 90; 120 | 267.76 | Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C. Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers Acta Crystallographica Section B, 1996, 52, 580-585 |
2101568 | CIF Paper | Ce2 Ga15 Pt6 | P 63/m m c | 4.3267; 4.3267; 16.5369 90; 90; 120 | 268.1 | Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C. Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers Acta Crystallographica Section B, 1996, 52, 580-585 |
2103515 | CIF | Ga5.5 La3 Nb0.5 O14 | P 3 2 1 | 7.864; 7.864; 5.007 90; 90; 120 | 268.2 | Pavlovska, 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 | CIF | Ga5.5 La3 Nb0.5 O14 | P 3 2 1 | 7.864; 7.864; 5.007 90; 90; 120 | 268.2 | Pavlovska, 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 |
2109004 | CIF | C5 H5 N3 O | P 1 c 1 | 7.173; 3.65; 10.686 90; 106.487; 90 | 268.27 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2103518 | CIF | Ga5.54 La3 O14 Ta0.46 | P 3 2 1 | 7.872; 7.872; 4.999 90; 90; 120 | 268.3 | Pavlovska, 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 | CIF | Ga5.54 La3 O14 Ta0.46 | P 3 2 1 | 7.872; 7.872; 4.999 90; 90; 120 | 268.3 | Pavlovska, 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 |
2106938 | CIF | F6 S | P -3 m 1 | 8.01; 8.01; 4.83 90; 90; 120 | 268.375 | Raynerd, G.; Venables, J.A.; Tatlock, G.J. An electron diffraction study of the structure of sulphur hexafluoride below 94 K Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1896-1900 |
2106467 | CIF | Fe Mo3 S4 | P -1 | 6.502; 6.466; 6.481 95.94; 97.37; 91.33 | 268.588 | Yvon, K.; Chevrel, R.; Sergent, M. Triclinic Iron Trimolybdenum Tetrasulphide, Containing Fe Pairs Acta Crystallographica B (24,1968-38,1982), 1980, 36, 685-687 |
2108369 | CIF HKL | H4 N2 O3 W | P 32 2 1 | 5.79842; 5.79842; 9.2341 90; 90; 120 | 268.871 | Giovannelli, F.; Mathieu, C.; Fritsch, K.; Adil, K.; Goutenoire, F.; Habicht, K.; Delorme, F. Room-temperature synthesis of a new stable (N~2~H~4~)WO~3~ compound: a route for hydrazine trapping Acta Crystallographica Section B, 2019, 75 |
2102307 | CIF Paper | Na2 O5 S2 | P 1 21 1 | 6.073; 5.47; 8.318 90; 103.16; 90 | 269.06 | Carter, Kay L.; Siddiquee, Tasneem A.; Murphy, Kristen L.; Bennett, Dennis W. The surprisingly elusive crystal structure of sodium metabisulfite Acta Crystallographica Section B, 2004, 60, 155-162 |
5000004 | CIF | C4 H7 N O4 | P 1 21 1 | 7.617; 6.982; 5.142 90; 99.84; 90 | 269.44 | Derissen, J. L.; Endeman, H. J.; Peerdeman, A. F. The crystal and molecular structure of L-aspartic acid Acta Crystallographica Section B, 1968, 24, 1349-1354 |
2109006 | CIF | C5 H5 N3 O | P -1 | 5.128; 5.708; 9.857 97.45; 98.04; 106.55 | 269.45 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2101569 | CIF Paper | Ce2 Ga15 Pt6 | P 63/m m c | 4.335; 4.335; 16.564 90; 90; 120 | 269.6 | Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C. Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers Acta Crystallographica Section B, 1996, 52, 580-585 |
9007635 | CIF | Al2 O3 | R -3 c :H | 4.844; 4.844; 13.27 90; 90; 120 | 269.656 | Ishizawa, N.; Miyata, T.; Minato, I.; Marumo, F.; Iwai, S. A structural investigation of alpha-Al2O3 at 2170 K T = 2170 K Acta Crystallographica, Section B, 1980, 36, 228-230 |
2106564 | CIF | Li2 O7 W2 | P -1 | 8.283; 7.05; 5.037 85.4; 102.13; 110.29 | 269.717 | Morikawa, H.; Okada, K.; Marumo, F.; Iwai, S.I. The crystal structure of Li2 W2 O7 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1451-1454 |
9016702 | CIF | Cu5 Li2 O14 Si4 | P -1 | 7.404; 7.754; 5.455 90.52; 106.27; 114.64 | 270.4 | Kawamura, K.; Kawahara, A.; Iiyama, J. T. The crystal structure of Li2Cu5(Si2O7)2 and the proposal of new values for the effective iconic radii of Cu2+ Acta Crystallographica, Section B, 1978, 34, 3181-3185 |
2102654 | CIF Paper | Cr F3 | R -3 c :H | 4.8593; 4.8593; 13.2329 90; 90; 120 | 270.6 | Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I. The compression mechanism of CrF~3~ Acta Crystallographica Section B, 2004, 60, 669-673 |
2107070 | CIF | Cl F Sn | P n m a | 6.126; 4.365; 10.136 90; 90; 90 | 271.037 | Geneys, C.; Vilminot, S.; le Cot, L. Etude structurale de chlorofluorure d'etain(II), Sn Cl F Acta Crystallographica B (24,1968-38,1982), 1976, 32, 3199-3202 |
2105032 | CIF HKL Paper | C10 H18 O4 | P -1 | 4.36; 4.611; 13.954 81.486; 81.175; 81.044 | 271.6 | Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B, 2011, 67, 525-534 |
2106134 | CIF | Cd2 Zr3 | P m m m | 7.86; 6.52; 5.3 90; 90; 90 | 271.61 | Arunsingh; Dayal, B. On the crystal structure of Cd-Zr intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1010-1011 |
2106786 | CIF | F6 K Na Th | P -3 | 6.3073; 6.3073; 7.8907 90; 90; 120 | 271.852 | Brunton, G. The crystal structure of K Na Th F6 Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1185-1187 |
2311653 | CIF | C10 H18 O4 | P -1 | 4.3722; 7.829; 8.718 113.011; 90.935; 97.047 | 271.92 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
2101605 | CIF Paper | Ba0.85 Ca2.15 In6 O12 | P 63/m | 9.888; 9.888; 3.217 90; 90; 120 | 272.395 | Baldinozzi, G.; Goutenoire, F.; Hervieu, M.; Suard, E.; Grebille, D. Incommensurate modulated disorder in Ba~0.85~Ca~2.15~In~6~O~12~ Acta Crystallographica Section B, 1996, 52, 780-789 |
1000428 | CIF | Ba0.86 Ca2 In6 O12 | P 63/m | 9.888; 9.888; 3.217 90; 90; 120 | 272.4 | Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12 Acta Crystallographica B (39,1983-), 1996, 52, 780-789 |
1000429 | CIF | Ba0.83 Ca2.1 In6 O12 | P 3 | 9.888; 9.888; 3.217 90; 90; 120 | 272.4 | Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12 Acta Crystallographica B (39,1983-), 1996, 52, 780-789 |
2104155 | CIF Paper | D4 Ge | P 21 21 21 | 7.35565; 8.15934; 4.53932 90; 90; 90 | 272.437 | Maley, Iain J.; Brown, Daniel H.; Ibberson, Richard M.; Pulham, Colin R. Solid-state structures of the covalent hydrides germane and stannane Acta Crystallographica Section B, 2008, 64, 312-317 |
2100656 | CIF Paper | F3 Fe | R -3 c :H | 4.84; 4.84; 13.4413 90; 90; 120 | 272.69 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
2103919 | CIF Paper | C Na2 O3 | 8.898; 5.237; 5.996 90; 101.87; 90 | 273.4 | Dusek, Michal; Chapuis, Gervais; Meyer, Mathias; Petricek, Vaclav Sodium carbonate revisited Acta Crystallographica Section B, 2003, 59, 337-352 | |
9011305 | CIF | C Na2 O3 | C 1 2/m 1 | 8.898; 5.237; 5.996 90; 101.87; 90 | 273.432 | Dusek, M.; Chapuis, G.; Meyer, M.; Petricek, V. Sodium carbonate revisited Sample: Delta phase, T = 110 K Acta Crystallographica, Section B, 2003, 59, 337-352 |
1001224 | CIF | Ge2 N2 O | C m c 21 | 9.312; 5.755; 5.105 90; 90; 90 | 273.6 | Jorgensen, J D; Srinivasa, S R; Labbe, J C; Roult, G Time-of-flight neutron diffraction study of germanium nitride oxide, Ge~2~ N~2~ O Acta Crystallographica B (24,1968-38,1982), 1979, 35, 141-142 |
2106733 | CIF | Cl2 H2 O3 U | P 1 21/m 1 | 5.828; 8.534; 5.557 90; 97.79; 90 | 273.833 | Taylor, J.C.; Wilson, P.W. The structure of uranyl chloride monohydrate by neutron diffraction and the disorder of the water molecule Acta Crystallographica B (24,1968-38,1982), 1974, 30, 169-175 |
2103513 | CIF | Ga5.54 La3 O14 Ta0.46 | P 3 2 1 | 7.944; 7.944; 5.012 90; 90; 120 | 273.9 | Pavlovska, 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 | CIF | Ga5.54 La3 O14 Ta0.46 | P 3 2 1 | 7.944; 7.944; 5.012 90; 90; 120 | 273.9 | Pavlovska, 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 |
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