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 |
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