Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica B (24,1968-38,1982)'
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 2105416 | CIF | B Li3 N2 | P 42/m n m | 4.6435; 4.6435; 5.2592 90; 90; 90 | 113.399 | Penzo, M.; Cenzual, K.; Gelato, L.M.; Parthe, E. Inorganic structure types with revised space groups.I. Acta Crystallographica B (39,1983-), 1991, 47, 433-439 |
| 2106930 | CIF | As0.26 In1.72 S3 | P -3 m 1 | 3.806; 3.806; 9.044 90; 90; 120 | 113.456 | Diehl, R.; Carpentier, C.D.; Nitsche, R. The crystal structure of gamma-In2 S3 stabilized by As or Sb Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1257-1260 |
| 2106935 | CIF | Bi Se | P m 2 m | 3.135; 2.984; 12.174 90; 90; 90 | 113.886 | Petricek, V.; Cisarova, I.; de Boer, J.L.; van Smaalen, S.; Meetsma, A.; Zhou, W.; Wiegers, A. The modulated structure of the commensurate misfit-layer (Bi Se)1.09 Ta Se2 Acta Crystallographica B (39,1983-), 1993, 49, 258-266 |
| 2101576 | CIF Paper | Ba Cu Fe O5 Y | P 4 m m | 3.865; 3.865; 7.6425 90; 90; 90 | 114.17 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
| 2103983 | CIF Paper | Na0.74 O3 W | P 4/m b m | 5.44556; 5.445564; 3.85598 90; 90; 90 | 114.346 | Darlington, C. N. W.; Hriljac, J. A.; Knight, K. S. Structures of Na~0.74~WO~3~ Acta Crystallographica Section B, 2003, 59, 584-587 |
| 2310778 | CIF Paper | Cu3.022 Sn0.978 | P m m a (2*b+1/4,c,a-1/3) | 5.523; 4.783; 4.336 90; 90; 90 | 114.54 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310776 | CIF Paper | Cu3.027 Sn0.973 | P m m a (2*b+1/4,c,a-1/3) | 5.525; 4.781; 4.3385 90; 90; 90 | 114.6 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310775 | CIF Paper | Cu3.048 Sn0.952 | P m m a (2*b+1/4,c,a-1/3) | 5.528; 4.783; 4.3391 90; 90; 90 | 114.73 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310777 | CIF Paper | Cu3.031 Sn0.969 | P m m a (2*b+1/4,c,a-1/3) | 5.529; 4.787; 4.3381 90; 90; 90 | 114.82 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310779 | CIF Paper | Cu3.013 Sn0.987 | P m m a (2*b,c,a) | 5.529; 4.788; 4.3411 90; 90; 90 | 114.92 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2106931 | CIF | In1.88 S3 Sb0.112 | P -3 m 1 | 3.831; 3.831; 9.049 90; 90; 120 | 115.015 | Diehl, R.; Carpentier, C.D.; Nitsche, R. The crystal structure of gamma-In2 S3 stabilized by As Or Sb Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1257-1260 |
| 2107248 | CIF | O7 V4 | P -1 | 5.504; 7.007; 10.243 41.3; 72.5; 109.4 | 115.016 | Horiuchi, H.; Tokonami, M.; Nagasawa, K.; Morimoto, N. The crystal structure of V4 O7 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1404-1410 |
| 2107218 | CIF | C2 B2 La | P -4 2 c | 3.8218; 3.8218; 7.9237 90; 90; 90 | 115.735 | Bauer, J.; Bars, O. The ordering of boron and carbon atoms in the La B2 C2 structure Acta Crystallographica B (24,1968-38,1982), 1980, 36, 1540-1544 |
| 1008281 | CIF | Nb2 O6 U0.5 | P 4/m m m | 3.856; 3.856; 7.796 90; 90; 90 | 115.9 | Labeau, M; Grey, I E; Coubert, J C; Chenevas, J; Collomb, A; Guitel, J C The structure of the a-cation deficient Perovskite U Nb~4~ O~12~ Acta Crystallographica B (24,1968-38,1982), 1985, 41, 33-41 |
| 2105389 | CIF | Au V3 | P m -3 n | 4.8807; 4.8807; 4.8807 90; 90; 90 | 116.264 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
| 2107121 | CIF | Ag3 I S | R 3 :R | 4.882; 4.882; 4.882 90; 90; 90 | 116.357 | Perenthaler, E.; Beyeler, H.U.; Schulz, H. Structures and phase transition of beta- and gamma-Ag3 I S Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1017-1023 |
| 2101549 | CIF Paper | Cl La O | P 4/n m m :2 | 4.1198; 4.1198; 6.8831 90; 90; 90 | 116.83 | E. N. Maslen; V. A. Streltsov; N. R. Streltsova; N. Ishizawa Synchrotron X-ray electron density in the layered LaOCl structure Acta Crystallographica Section B, 1996, 52, 576-579 |
| 2100714 | CIF Paper | C6 H5 O2 | P -1 | 3.7615; 5.6996; 5.9065 110.8; 91.164; 91.443 | 118.28 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
| 2106969 | CIF | Pt Si | P b n m | 5.916; 5.577; 3.587 90; 90; 90 | 118.348 | Graeber, E.J.; Baughman, R.J.; Morosin, B. Crystal structure and linear thermal expansivities of platinum silicide and platinum germanide Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1991-1994 |
| 9013892 | CIF | Cl F Sr | P 4/n m m :2 | 4.1259; 4.1259; 6.9579 90; 90; 90 | 118.445 | Sauvage, M. Refinement of the structures of SrFCl and BaFCl Note: matlockite structure Acta Crystallographica, Section B, 1974, 30, 2786-2787 |
| 2107540 | CIF HKL Paper | In1.95 S3 | P -3 m 1 | 3.86564; 3.86564; 9.1569 90; 90; 120 | 118.501 | Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B, 2016, 72, 410-415 |
| 2103296 | CIF Paper | Bi0.5 Na0.5 O3 Ti | P 4 b m | 5.5179; 5.5179; 3.9073 90; 90; 90 | 118.966 | Jones, G. O.; Thomas, P. A. Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~ Acta Crystallographica Section B, 2002, 58, 168-178 |
| 2104170 | CIF Paper | Al0.256 In1.044 O3.35 Ti0.7 | C2/m(0\b0)s0 | 5.857; 3.361; 6.355 90; 107.96; 90 | 119 | Bereciartua, P. J.; Zuñiga, F. J.; Breczewski, T. Incommensurate structure of InAl~1{-~<i>x</i>}Ti~<i>x~</i>O~3+<i>x~/2</i> [<i>x</i> = 0.701(1)]: comparison between modulated and composite models Acta Crystallographica Section B, 2008, 64, 405-416 |
| 2104171 | CIF HKL Paper | Al0.253 In1.046 O3.35 Ti0.701 | C2/m(0\b0)s0 | 5.857; 3.361; 6.355 90; 107.96; 90 | 119 | Bereciartua, P. J.; Zuñiga, F. J.; Breczewski, T. Incommensurate structure of InAl~1{-~<i>x</i>}Ti~<i>x~</i>O~3+<i>x~/2</i> [<i>x</i> = 0.701(1)]: comparison between modulated and composite models Acta Crystallographica Section B, 2008, 64, 405-416 |
| 2102068 | CIF Paper | Bi0.5 Na0.5 O3 Ti | P 4 b m | 5.5191; 5.5191; 3.9085 90; 90; 90 | 119.055 | Jones, G. O.; Thomas, P. A. The tetragonal phase of Na~0.5~Bi~0.5~TiO~3~ – a new variant of the perovskite structure Acta Crystallographica Section B, 2000, 56, 426-430 |
| 2104015 | CIF Paper | Gd S1.82 | P 4/n | 3.8951; 3.8951; 7.9343 90; 90; 90 | 120.378 | Tamazyan, Rafael; van Smaalen, Sander; Vasilyeva, Inga Grigorevna; Arnold, Heinrich Two-dimensionally modulated structure of the rare-earth polysulfide GdS~2{-~<i>x</i>} (<i>x</i> = 0.18 ≃13/72) Acta Crystallographica Section B, 2003, 59, 709-719 |
| 2107292 | CIF HKL Paper | B4 V3 | I m m m | 2.9821; 3.0601; 13.2251 90; 90; 90 | 120.686 | Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~ Acta Crystallographica Section B, 2015, 71, 777-787 |
| 2105420 | CIF | B12.64 P1.36 | R -3 m :R | 5.231; 5.231; 5.231 69.5; 69.5; 69.5 | 121.285 | Amberger, E.; Rauh, P.A. Struktur des borreichen Borphosphids Acta Crystallographica B (24,1968-38,1982), 1974, 30, 2549-2553 |
| 9007653 | CIF | Fe S | P n m a | 5.825; 3.4675; 6.0059 90; 90; 90 | 121.308 | King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 463 K, P = 0.0001 GPa, MnP-type structure Acta Crystallographica, Section B, 1982, 38, 1877-1887 |
| 2002945 | CIF Paper | Na O3 Ta | P 4/m b m | 5.55465; 5.55465; 3.93426 90; 90; 90 | 121.388 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2102688 | CIF Paper | Cu5 Na8 O10 | C2/m(0\b0)s0 | 8.2417; 2.7859; 5.7167 90; 111.971; 90 | 121.726 | van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B, 2007, 63, 17-25 |
| 2102687 | CIF Paper | Cu Na1.57664 O2 | C2/m(0\b0)s0 | 8.24153; 2.78589; 5.71687 90; 111.97; 90 | 121.727 | van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B, 2007, 63, 17-25 |
| 2107259 | CIF | D4 F N | P 63 m c | 4.436; 4.436; 7.158 90; 90; 120 | 121.985 | Lawson, A.C.jr.; Roof, R.B.jr.; Jorgensen, J.D.; Schirber, J.E.; Morosin, B. Structure of N D4 F - II Acta Crystallographica B (39,1983-), 1989, 45, 212-218 |
| 2102689 | CIF Paper | Cu Na1.61689 O2 | C2/m(0\b0)s0 | 8.23682; 2.79269; 5.71224 90; 111.67; 90 | 122.112 | van Smaalen, Sander; Dinnebier, Robert; Sofin, Mikhail; Jansen,Martin Structures of incommensurate and commensurate composite crystals Na~<i>x~</i>CuO~2~ (<i>x</i> = 1.58, 1.6, 1.62) Acta Crystallographica Section B, 2007, 63, 17-25 |
| 2106401 | CIF | F H4 N | P 63 m c | 4.4389; 4.4389; 7.1635 90; 90; 120 | 122.238 | Morosin, B. The wurtzite z parameter and linear compressibilities for N H4 F Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1635-1637 |
| 2002944 | CIF Paper | Na Nb O3 | P 4/m b m | 5.56896; 5.56896; 3.94408 90; 90; 90 | 122.319 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2106129 | CIF | Ir Mo3 | P m -3 n | 4.9682; 4.9682; 4.9682 90; 90; 90 | 122.63 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
| 2106124 | CIF | Mo3 Os | P m -3 n | 4.9689; 4.9689; 4.9689 90; 90; 90 | 122.682 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
| 2100717 | CIF Paper | C6 H5 O2 | P -1 | 3.8291; 5.7546; 5.9771 111.121; 89.936; 92.453 | 122.73 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
| 2105413 | CIF | B Co Mo | P n m a | 5.741; 3.232; 6.634 90; 90; 90 | 123.093 | Jeitschko, W. The crystal structure of Mo Co B and related compounds Acta Crystallographica B (24,1968-38,1982), 1968, 24, 930-934 |
| 2101580 | CIF Paper | Pu S2 | P 4 m m | 3.943; 3.943; 7.962 90; 90; 90 | 123.8 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
| 2105359 | CIF | Ag2.868 I S | P m -3 m | 4.987; 4.987; 4.987 90; 90; 90 | 124.028 | Schulz, H.; Beyeler, H.U.; Perenthaler, E. Structures and Phase Transition of beta- and gamma-Ag3 I S Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1017-1023 |
| 2106244 | CIF | H3 O3 Tb | P 63/m | 6.308; 6.308; 3.6 90; 90; 120 | 124.056 | Beall, G.W.; Milligan, W.O.; Korp, J.D.; Bernal, I. The structure of terbium trihydroxide, Tb (O H)3, by neutron diffraction Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3134-3136 |
| 2107216 | CIF | Mo6.4 Pt1.6 | P m -3 n | 4.9878; 4.9878; 4.9878 90; 90; 90 | 124.087 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
| 2104293 | CIF Paper | K0.3 Na0.7 Nb O3 | P 1 m 1 | 5.64304; 3.93188; 5.6126 90; 89.9136; 90 | 124.531 | Baker, D. W.; Thomas, P. A.; Zhang, N.; Glazer, A. M. Structural study of K~<i>x~</i>Na~1{-~<i>x</i>}NbO~3~ (KNN) for compositions in the range <i>x</i> = 0.24‒0.36 Acta Crystallographica Section B, 2009, 65, 22-28 |
| 2104388 | CIF Paper | K0.3 Na0.7 Nb O3 | P 1 m 1 | 5.65868; 3.93856; 5.6248 90; 90.073; 90 | 125.36 | Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B, 2009, 65, 291-299 |
| 2105375 | CIF | Ag5 Eu | P 6/m m m | 5.6201; 5.6201; 4.6439 90; 90; 120 | 127.029 | Gschneidner, K.A.jr.; McMasters, O.D.J.; Venteicher, R.F. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1224-1229 |
| 2107071 | CIF | Ge Pt | P n m a | 5.719; 3.697; 6.084 90; 90; 90 | 128.635 | Graeber, E.J.; Morosin, B.; Baughman, R.J. Crystal structure and linear thermal expansitivities of platinum silicide and platinum germanide Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1991-1994 |
| 2106422 | CIF | D Ga O2 | P b n m | 4.516; 9.779; 2.966 90; 90; 90 | 130.984 | Pye, M.F.; Birtill, J.J.; Dickens, P.G. alpha Gallium oxide deuteriohydroxide: a powder neutron diffraction investigation Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3224-3226 |
| 2105050 | CIF Paper | Li0.62 Zn0.87 | P -3 m 1 | 4.3528; 4.3528; 8.003 90; 90; 120 | 131.32 | Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut Polymorphism of Li~2~Zn~3~ Acta Crystallographica Section B, 2012, 68, 34-39 |
| 9015024 | CIF | Mg0.125 O1.872 Zr0.875 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 3, O displaced along [111] Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015434 | CIF | Mg0.125 O1.872 Zr0.875 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 2, O displaced along [100] Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9015643 | CIF | Mg0.096 O1.904 Zr0.904 | F m -3 m | 5.0858; 5.0858; 5.0858 90; 90; 90 | 131.546 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 1, O atom not displaced Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 2101618 | CIF Paper | Cl2 H6 N2 Pd | P 1 | 6.3121; 6.4984; 3.3886 96.604; 97.29; 104.691 | 131.786 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B, 1996, 52, 909-916 |
| 2101679 | CIF Paper | Cu0.3 O4 W Zn0.7 | P -1 | 4.68411; 5.74374; 4.90925 89.6303; 91.1899; 92.073 | 131.963 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101678 | CIF Paper | Cu0.25 O4 W Zn0.75 | P -1 | 4.68499; 5.73796; 4.91163 89.766; 91.135; 91.467 | 131.966 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101677 | CIF Paper | Cu0.2 O4 W Zn0.8 | P 1 2/c 1 | 4.68502; 5.73194; 4.9156 90; 91.0026; 90 | 131.985 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2106603 | CIF | Ba Ni O3 | P 63/m m c | 5.629; 5.629; 4.811 90; 90; 120 | 132.017 | Takeda, Y.; Kanamaru, F.; Shimada, M.; Koizumi, M. Crystal structure of Ba Ni O3 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2464-2466 |
| 2101676 | CIF Paper | Cu0.15 O4 W Zn0.85 | P 1 2/c 1 | 4.68766; 5.72752; 4.92052 90; 90.8566; 90 | 132.095 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101675 | CIF Paper | Cu0.1 O4 W Zn0.9 | P 1 2/c 1 | 4.69114; 5.72608; 4.92536 90; 90.7507; 90 | 132.293 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101674 | CIF Paper | O4 W Zn | P 1 2/c 1 | 4.69263; 5.72129; 4.92805 90; 90.6321; 90 | 132.3 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101680 | CIF Paper | Cu0.35 O4 W Zn0.65 | P -1 | 4.6901; 5.76474; 4.90647 89.3597; 91.3394; 93.2364 | 132.403 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101681 | CIF Paper | Cu0.4 O4 W Zn0.6 | P -1 | 4.69097; 5.7751; 4.90169 89.2071; 91.487; 93.9239 | 132.425 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101682 | CIF Paper | Cu0.45 O4 W Zn0.55 | P -1 | 4.69174; 5.77857; 4.90054 89.1685; 91.519; 94.1 | 132.464 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101684 | CIF Paper | Cu0.6 O4 W Zn0.4 | P -1 | 4.6947; 5.8028; 4.89158 88.871; 91.828; 95.367 | 132.588 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101683 | CIF Paper | Cu0.55 O4 W Zn0.45 | P -1 | 4.69651; 5.80159; 4.89491 88.913; 91.8172; 95.215 | 132.736 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101686 | CIF Paper | Cu0.7 O4 W Zn0.3 | P -1 | 4.7013; 5.8207; 4.889 88.678; 92.073; 96.099 | 132.918 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101687 | CIF Paper | Cu0.7 O4 W Zn0.25 | P -1 | 4.70508; 5.82979; 4.88441 88.5414; 92.2845; 96.6112 | 132.951 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101685 | CIF Paper | Cu0.65 O4 W Zn0.35 | P -1 | 4.70189; 5.81866; 4.89057 88.706; 92.051; 95.982 | 132.962 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101691 | CIF Paper | Cu0.95 O4 W Zn0.05 | P -1 | 4.70682; 5.83985; 4.88214 88.3889; 92.4646; 97.1148 | 133.004 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101689 | CIF Paper | Cu0.85 O4 W Zn0.15 | P -1 | 4.70559; 5.83597; 4.88391 88.4601; 92.3623; 96.8837 | 133.008 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101690 | CIF Paper | Cu0.9 O4 W Zn0.1 | P -1 | 4.7095; 5.8403; 4.88323 88.413; 92.5035; 97.095 | 133.123 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2107283 | CIF Paper | Mn2 Si3.5 | I 41/a m d :2 | 5.5235; 5.5235; 4.3634 90; 90; 90 | 133.123 | Akselrud, L.; Cardoso Gil, R.; Wagner-Reetz, M.; Grin, Yu. Disorder in the composite crystal structure of the manganese `disilicide' MnSi~1.73~ from powder X-ray diffraction data Acta Crystallographica Section B, 2015, 71, 707-712 |
| 2101688 | CIF Paper | Cu0.8 O4 W Zn0.2 | P -1 | 4.70707; 5.83407; 4.88649 88.511; 92.3254; 96.735 | 133.124 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2101692 | CIF Paper | Cu O4 W | P -1 | 4.70953; 5.84516; 4.88492 88.353; 92.5081; 97.2047 | 133.246 | Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G. Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~ Acta Crystallographica Section B, 1997, 53, 102-112 |
| 2106882 | CIF | H3 Nd O3 | P 63/m | 6.422; 6.422; 3.742 90; 90; 120 | 133.652 | Beall, G.W.; Milligan, W.O.; Dillin, D.R.; Williams, R.; McCoy, J. Refinement of neodymium trihydroxide Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2227-2229 |
| 2021616 | CIF HKL | C2 Ba Ca O6 | C 1 2 1 | 6.6775; 5.0982; 4.19239 90; 109.259; 90 | 134.736 | Spahr, Dominik; Bayarjargal, Lkhamsuren; Vinograd, Victor; Luchitskaia, Rita; Milman, Victor; Winkler, Björn A new BaCa(CO3)2 polymorph Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75 |
| 5000038 | CIF | O2 Zr | F m -3 m | 5.1291; 5.1291; 5.1291 90; 90; 90 | 134.9 | Martin, U; Boysen, H; Frey, F Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400 K Acta Crystallographica Section B, 1993, 49, 403-413 |
| 2106770 | CIF | Cu Se | P 63/m m c | 3.691; 3.691; 11.442 90; 90; 120 | 134.996 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
| 2108456 | CIF | O2 Zr | P 1 21/c 1 | 5.059; 5.2097; 5.1763 90; 98.276; 90 | 135.005 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2101587 | CIF Paper | Cr N Nb | P 4 b m | 4.283; 4.283; 7.36 90; 90; 90 | 135.012 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
| 2106125 | CIF | Nb3 Os | P m -3 n | 5.1348; 5.1348; 5.1348 90; 90; 90 | 135.385 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
| 2100211 | CIF Paper | Ba0.0504 Bi0.2661 O1.8165 Ti0.6835 | ?P? | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275) Acta Crystallographica Section B, 2005, 61, 145-153 |
| 2106560 | CIF | Ba0.159 Bi0.841 O2.5 Ti | I 1 2/m 1 | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T. Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275) Acta Crystallographica B (39,1983-), 2005, 61, 145-153 |
| 2105404 | CIF | B2 O3 | P 31 | 4.3358; 4.3358; 8.3397 90; 90; 120 | 135.775 | Gorres, B.T.; Montgomery, P.W.; Knutson, C.D.; Gurr, G.E. The crystal structure of trigonal diboron trioxide Acta Crystallographica B (24,1968-38,1982), 1970, 26, 906-915 |
| 2108455 | CIF | O2 Zr | P 1 21/c 1 | 5.07006; 5.2095; 5.1975 90; 98.441; 90 | 135.792 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2101234 | CIF Paper | O2 Zr | F m -3 m | 5.14335; 5.14335; 5.14335 90; 90; 90 | 136.062 | Yashima, M.; Sasaki, S.; Kakihana, M.; Yamaguchi, Y.; Arashi, H.; Yoshimura, M. Oxygen-induced structural change of the tetragonal phase around the tetragonal‒cubic phase boundary in ZrO~2~‒YO~1.5~ solid solutions Acta Crystallographica Section B, 1994, 50, 663-672 |
| 9015929 | CIF | O2 Ti | I 41/a m d :1 | 3.7845; 3.7845; 9.5143 90; 90; 90 | 136.268 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
| 2102124 | CIF Paper | O5 Ta2 | C 1 2 1 | 5.2252; 4.6991; 5.8534 90; 108.2; 90 | 136.533 | Zibrov, I. P.; Filonenko, V. P.; Sundberg, M.; Werner, P.-E. Structures and phase transitions of <i>B</i>-Ta~2~O~5~ and <i>Z</i>-Ta~2~O~5~: two high-pressure forms of Ta~2~O~5~ Acta Crystallographica Section B, 2000, 56, 659-665 |
| 2106126 | CIF | Nb3 Pt | P m -3 n | 5.1524; 5.1524; 5.1524 90; 90; 90 | 136.782 | van Reuth, E.C.; Waterstrat, R.M. Atomic ordering in binary A15-type phases Acta Crystallographica B (24,1968-38,1982), 1968, 24, 186-196 |
| 2105681 | CIF Paper | O1.879 Y0.242 Zr0.758 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~ Acta Crystallographica Section B, 1999, 55, 726-735 |
| 2105682 | CIF Paper | O1.879 Y0.242 Zr0.758 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~ Acta Crystallographica Section B, 1999, 55, 726-735 |
| 2107334 | CIF | O1.7096 Y0.242 Zr0.7576 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Hayashi, M.; Matsushima, Y.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr0.758 Y0.242 O1.879 Acta Crystallographica B (39,1983-), 1999, 55, 726-735 |
| 2108454 | CIF | O2 Zr | P 1 21/c 1 | 5.09098; 5.2093; 5.23197 90; 98.706; 90 | 137.155 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2100243 | CIF Paper | Mn O4 Re | P 1 2/c 1 | 4.8022; 5.6318; 5.0803 90; 92.762; 90 | 137.24 | Bramnik, Kirill G.; Ehrenberg, Helmut; Buhre, Stephan; Fuess, Hartmut Preparation, crystal structure and magnetic properties of the high-pressure phase MnReO~4~ with a wolframite-type structure Acta Crystallographica Section B, 2005, 61, 246-249 |
| 2106284 | CIF | F6 K2 Re | P -3 m 1 | 5.879; 5.879; 4.611 90; 90; 120 | 138.017 | Clark, G.R.; Russell, D.R. Potassium hexafluororhenate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 894-895 |
| 2108453 | CIF | O2 Zr | P 1 21/c 1 | 5.10541; 5.20827; 5.25387 90; 98.868; 90 | 138.032 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2107092 | CIF | Ce H3 O3 | P 63/m | 6.489; 6.489; 3.8061 90; 90; 120 | 138.793 | Mullica, D.F.; Oliver, J.D.; Milligan, W.O. Cerium Trihydroxide Acta Crystallographica B (24,1968-38,1982), 1979, 35, 2668-2670 |
| 2108452 | CIF | O2 Zr | P 1 21/c 1 | 5.12418; 5.20803; 5.28293 90; 99.048; 90 | 139.231 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2106848 | CIF | F6 K2 U | P -6 2 m | 6.5528; 6.5528; 3.749 90; 90; 120 | 139.412 | Brunton, G. Refinement of the crystal structure of beta1-K2 U F6 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 2163-2164 |
| 9013891 | CIF | Ba Cl F | P 4/n m m :2 | 4.3939; 4.3939; 7.2248 90; 90; 90 | 139.485 | Sauvage, M. Refinement of the structures of SrFCl and BaFCl Note: matlockite structure Acta Crystallographica, Section B, 1974, 30, 2786-2787 |
| 2106614 | CIF | Hf0.006 O2 Zr0.994 | P 1 21/c 1 | 5.1313; 5.1857; 5.3248 90; 99.34; 90 | 139.811 | Yashima, M.; Tsunekawa, S. Structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Acta Crystallographica B (39,1983-), 2006, 62, 161-164 |
| 1008072 | CIF | Co Mn P | P n m a | 5.947; 3.504; 6.726 90; 90; 90 | 140.2 | Fruchart, D; Bacmann, M; Chaudouet, P Structure du Phosphure de Cobalt et de Manganese Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2759-2761 |
| 2106538 | CIF | Bi2 O6 U | P -3 | 4.045; 4.045; 9.9 90; 90; 120 | 140.282 | Koster, A.S.; Renaud, J.P.P.; Rieck, G.D. The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 127-131 |
| 2108451 | CIF | O2 Zr | P 1 21/c 1 | 5.14204; 5.20869; 5.30989 90; 99.1726; 90 | 140.398 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108450 | CIF | O2 Zr | P 1 21/c 1 | 5.1473; 5.20878; 5.31657 90; 99.2056; 90 | 140.708 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2106532 | CIF | N O3 Rb | P m m n :1 | 5.667; 5.181; 4.798 90; 90; 90 | 140.873 | Kalliomaeki, M.S.; Meisalo, V.P.J. Structure determination of the high-pressure phases Rb N O3 V, Cs N O3 III and Cs N O3 IV Acta Crystallographica B (24,1968-38,1982), 1979, 35, 2829-2835 |
| 9016714 | CIF | O2 Zr | P 1 21/c 1 | 5.1505; 5.2116; 5.3173 90; 99.23; 90 | 140.881 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 2106471 | CIF | Cl2 Cs I | R -3 m :R | 5.469; 5.469; 5.469 70.67; 70.67; 70.67 | 141.079 | van Bolhuis, F.; Tucker, P.A. Refinement of the crystal structure of cesium dichloroiodide Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2613-2614 |
| 2107453 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1604; 5.2072; 5.3208 90; 98.822; 90 | 141.28 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107455 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1603; 5.2086; 5.3211 90; 98.912; 90 | 141.29 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107451 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1595; 5.2069; 5.3223 90; 98.78; 90 | 141.31 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107449 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1623; 5.2052; 5.3229 90; 98.63; 90 | 141.41 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107447 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.164; 5.206; 5.325 90; 98.7; 90 | 141.51 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107203 | CIF | F6 H8 N2 Ti | P -3 m 1 | 5.92; 5.92; 4.702 90; 90; 120 | 142.711 | Tun, Z.; Brown, I.D. Hydrogen bonding in diammonium hexafluorotitanate Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1792-1794 |
| 2106769 | CIF | Cu Se | P 63/m m c | 3.706; 3.706; 12.046 90; 90; 120 | 143.28 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
| 2107157 | CIF | Cu2 Li P2 | I 4/m m m | 3.887; 3.887; 9.55 90; 90; 90 | 144.289 | Schlenger, H.; Jacobs, H. Die Kristallstrukturen des Li Cu2 P2 und des Li1.75 Cu1.25 P2 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 327-327 |
| 9017318 | CIF | C H4 N2 O | P -4 21 m | 5.565; 5.565; 4.684 90; 90; 90 | 145.06 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 2102552 | CIF Paper | N4 Si3 | P 63/m | 7.6015; 7.6015; 2.9061 90; 90; 120 | 145.425 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102553 | CIF Paper | N4 Si3 | P 63 | 7.6015; 7.6015; 2.9061 90; 90; 120 | 145.425 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102554 | CIF Paper | N4 Si3 | P 63/m | 7.602; 7.602; 2.906 90; 90; 120 | 145.439 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102555 | CIF Paper | N4 Si3 | P 63 | 7.602; 7.602; 2.906 90; 90; 120 | 145.439 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 9017317 | CIF | C H4 N2 O | P -4 21 m | 5.57; 5.57; 4.688 90; 90; 90 | 145.445 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 2106113 | CIF | Hg In | R -3 m :H | 3.572; 3.572; 13.168 90; 90; 120 | 145.503 | Segnini, M.; Giessen, B.C. The crystal structure of Hg In Acta Crystallographica B (24,1968-38,1982), 1972, 28, 320-321 |
| 2102550 | CIF Paper | N4 Si3 | P 63/m | 7.6044; 7.6044; 2.9063 90; 90; 120 | 145.546 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102551 | CIF Paper | N4 Si3 | P 63 | 7.6044; 7.6044; 2.9063 90; 90; 120 | 145.546 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2022025 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 9017316 | CIF | C H4 N2 O | P -4 21 m | 5.584; 5.584; 4.689 90; 90; 90 | 146.208 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 2003112 | CIF Paper | C H4 N2 O | P -4 21 m | 5.589; 5.589; 4.6947 90; 90; 90 | 146.65 | Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results Acta Crystallographica Section B, 1999, 55, 45-54 |
| 9011118 | CIF | Ag3 Sn | P m m n :2 | 5.968; 4.7802; 5.1843 90; 90; 90 | 147.899 | Fairhurst, C. W.; Cohen, J. B. The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn Acta Crystallographica, Section B, 1972, 28, 371-378 |
| 2105344 | CIF | Ag La O S | P 4/n m m :2 | 4.05; 4.05; 9.039 90; 90; 90 | 148.262 | Palazzi, M.; Jaulmes, S. Structure du conducteur ionique La O Ag Y Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1337-1339 |
| 2105403 | CIF | B2 O3 | C c m 21 | 4.613; 7.803; 4.129 90; 90; 90 | 148.624 | Shannon, R.D.; Prewitt, C.T. Crystal structure of a high-pressure form of B2 O3 Acta Crystallographica B (24,1968-38,1982), 1968, 24, 869-874 |
| 2106533 | CIF | Cs N O3 | P m m n :1 | 5.837; 5.143; 4.978 90; 90; 90 | 149.438 | Kalliomaeki, M.S.; Meisalo, V.P.J. Structure Determination of the High-Pressure Phases Rb N O3 V, Cs N O3 III and Cs N O3 IV Acta Crystallographica B (24,1968-38,1982), 1979, 35, 2829-2835 |
| 9011285 | CIF | Au Te2 | C 1 2/m 1 | 7.1; 4.221; 5.029 90; 90.4; 90 | 150.711 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 2.40 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 1007035 | CIF | C Ag2 O3 | P 1 21/m 1 | 4.852; 9.553; 3.255 90; 91.96; 90 | 150.8 | Masse, R; Guitel, J C; Durif, A Structure du carbonate d'argent Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1428-1429 |
| 2104419 | CIF HKL Paper | As2 Cu Gd | P21/m(\a0\g)00 | 3.9041; 3.9015; 9.908 90; 90.05; 90 | 150.92 | Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M. Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms Acta Crystallographica Section B, 2009, 65, 527-534 |
| 2106033 | CIF | C2 Ir U2 | I 4/m m m | 3.4804; 3.4804; 12.4821 90; 90; 90 | 151.198 | Bowman, A.L.; Arnold, G.P.; Krikorian, N.H. The crystal structure of U2 Ir C2 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1067-1068 |
| 9011174 | CIF | Ba Br F | P 4/n m m :2 | 4.508; 4.508; 7.441 90; 90; 90 | 151.216 | Liebich, W.; Nicollin, D. Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure Acta Crystallographica, Section B, 1977, 33, 2790-2794 |
| 2104225 | CIF Paper | F4 O2 Rb2 W | P -3 m 1 | 6.0056; 6.0056; 4.8636 90; 90; 120 | 151.915 | Udovenko, Anatoly A.; Laptash, Natalia M. Disorder in crystals of dioxofluorotungstates, (NH~4~)~2~WO~2~F~4~ and Rb~2~WO~2~F~4~ Acta Crystallographica Section B, 2008, 64, 645-651 |
| 2106832 | CIF | H6 K2 O6 Pt | R -3 :R | 5.658; 5.658; 5.658 69.04; 69.04; 69.04 | 152.371 | Bandel, G.; Platte, C.; Troemel, M. Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV) Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1544-1546 |
| 9011284 | CIF | Au Te2 | C 1 2/m 1 | 7.1; 4.286; 5.029 90; 90.3; 90 | 153.033 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.89 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 2106529 | CIF | Co0.974 Ge Mn0.997 | P n m a | 5.316; 4.087; 7.079 90; 90; 90 | 153.802 | Jeitschko, W. A high-temperature X-ray study of the displacive phase transition in Mn Co Ge Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1187-1190 |
| 2107004 | CIF | Cr P2 | C 1 2/m 1 | 8.213; 3.034; 7.098 90; 119.47; 90 | 153.985 | Jeitschko, W.; Donohue, P.C. High-pressure Cr P2 and Cr As2 with Os Ge2-type structures and crystal chemistry of transition-metal dipnictides Acta Crystallographica B (24,1968-38,1982), 1973, 29, 783-789 |
| 9011283 | CIF | Au Te2 | C 1 2/m 1 | 7.11; 4.29; 5.05 90; 90.3; 90 | 154.032 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.78 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011282 | CIF | Au Te2 | C 1 2/m 1 | 7.129; 4.314; 5.036 90; 90.15; 90 | 154.879 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.63 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011233 | CIF | Cu3 O8 V2 | P -1 | 5.196; 5.355; 6.505 69.22; 88.69; 68.08 | 155.733 | Coing-Boyat J Structure de la variete ordinaire, triclinique, de l'orthovanadate de cuivre(II), Cu3(VO4)2 Acta Crystallographica, Section B, 1982, 38, 1546-1548 |
| 2102845 | CIF Paper | Ce0.5 O2 Zr0.5 | F m -3 m | 5.3848; 5.3848; 5.3848 90; 90; 90 | 156.14 | Wakita, Takahiro; Yashima, Masatomo <i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study Acta Crystallographica Section B, 2007, 63, 384-389 |
| 1000166 | CIF | Al F4 K | P 4/m b m | 5.043; 5.043; 6.164 90; 90; 90 | 156.8 | Mouet, J; Pannetier, J; Fourquet, J L The Room-Temperature Structure of Potassium Tetrafluoroaluminate Acta Crystallographica B (24,1968-38,1982), 1981, 37, 32-34 |
| 2106833 | CIF | Ba O3 Tb1.002 | R -3 c :R | 6.05; 6.05; 6.05 60.13; 60.13; 60.13 | 157.046 | Banks, E.; la Placa, S.J.; Kunnmann, W.; Corliss, L.M.; Hastings, J.M. A note on the crystal and magnetic structure of Ba Tb O3 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 3429-3430 |
| 9011281 | CIF | Au Te2 | C 1 2/m 1 | 7.164; 4.371; 5.064 90; 90; 90 | 158.573 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.63 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9007661 | CIF | Mo S2 | R 3 m :H | 3.163; 3.163; 18.37 90; 90; 120 | 159.162 | Schonfeld, B.; Huang, J. J.; Moss, S. C. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 3R polytype Acta Crystallographica, Section B, 1983, 39, 404-407 |
| 9011280 | CIF | Au Te2 | C 1 2/m 1 | 7.171; 4.385; 5.064 90; 90.04; 90 | 159.237 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.41 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9013397 | CIF | Sb | R -3 m :H | 4.196; 4.196; 10.455 90; 90; 120 | 159.414 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.7 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 2102582 | CIF Paper | O5 V2 | P 1 21/m 1 | 7.114; 3.57177; 6.2846 90; 90.069; 90 | 159.689 | Filonenko, V. P.; Sundberg, M.; Werner, P.-E.; Zibrov, I. P. Structure of a high-pressure phase of vanadium pentoxide, β-V~2~O~5~ Acta Crystallographica Section B, 2004, 60, 375-381 |
| 9011259 | CIF | Ag0.1 Au0.9 Te2 | C 1 2/m 1 | 7.182; 4.402; 5.056 90; 89.99; 90 | 159.846 | Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 100 K Acta Crystallographica, Section B, 1988, 44, 486-494 |
| 2102763 | CIF Paper | Si | F d -3 m :2 | 5.42712; 5.42712; 5.42712 90; 90; 90 | 159.848 | Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B, 2007, 63, 63-68 |
| 9013396 | CIF | Sb | R -3 m :H | 4.198; 4.198; 10.485 90; 90; 120 | 160.024 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.15 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 2104737 | CIF Paper | Si | F d -3 m | 5.43096; 5.43096; 5.43096 90; 90; 90 | 160.188 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
| 2106528 | CIF | Co0.974 Ge Mn0.997 | P n m a | 5.947; 3.826; 7.051 90; 90; 90 | 160.433 | Jeitschko, W. A high-temperature X-ray study of the displacive phase transition in Mn Co Ge Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1187-1190 |
| 9011278 | CIF | Au Te2 | C 1 2/m 1 | 7.189; 4.407; 5.069 90; 89.96; 90 | 160.596 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.0001 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 9011279 | CIF | Au Te2 | C 1 2/m 1 | 7.189; 4.407; 5.069 90; 89.96; 90 | 160.596 | Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = <0.5 GPa Acta Crystallographica, Section B, 1993, 49, 6-11 |
| 2107191 | CIF | Au Te2 | C 1 2/m 1 | 7.1947; 4.4146; 5.0703 90; 90.038; 90 | 161.041 | Schutte, W.J.; de Boer, J.L. Valence fluctuations in the incommensurately modulated structure of calaverite Au Te2 Acta Crystallographica B (39,1983-), 1988, 44, 486-494 |
| 9011258 | CIF | Ag0.1 Au0.9 Te2 | C 1 2/m 1 | 7.1947; 4.4146; 5.0703 90; 90.038; 90 | 161.041 | Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 298 K Acta Crystallographica, Section B, 1988, 44, 486-494 |
| 9013395 | CIF | Sb | R -3 m :H | 4.21; 4.21; 10.53 90; 90; 120 | 161.63 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.8 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 2100669 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 4.82; 7.563; 4.873 90; 114.5; 90 | 162 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 9013394 | CIF | Sb | R -3 m :H | 4.214; 4.214; 10.569 90; 90; 120 | 162.538 | Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.3 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810 |
| 2106095 | CIF | Ni Y | P n m a | 7.156; 4.124; 5.515 90; 90; 90 | 162.755 | Klepp, K.; Parthe, E. Yttrium-nickel Y Ni with the FeB structure type Acta Crystallographica B (24,1968-38,1982), 1980, 36, 3093-3094 |
| 2104420 | CIF Paper | As2 Au0.973 Gd | P21/m(\a0\g)00 | 3.957; 4.06; 10.135 90; 90.01; 90 | 162.82 | Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M. Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms Acta Crystallographica Section B, 2009, 65, 527-534 |
| 2104421 | CIF Paper | As2 Au0.966 Tb | P21/m(\a0\g)00 | 3.933; 4.0891; 10.135 90; 90; 90 | 163 | Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M. Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms Acta Crystallographica Section B, 2009, 65, 527-534 |
| 2106976 | CIF | Be3 O4 Sr | P -6 2 c | 4.5961; 4.5961; 8.93 90; 90; 120 | 163.366 | Harris, L.A.; Yakel, H.L.jr. The Crystal Structure of Sr Be3 O4 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1647-1651 |
| 2107064 | CIF | Ge S | P n m a | 10.47; 3.641; 4.297 90; 90; 90 | 163.807 | Bissert, G.; Hesse, K.F. Verfeinerung der Struktur von Germanium(II)-sulfid, Ge S Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1322-1323 |
| 2106162 | CIF | Cu0.25 In0.25 S Zn0.5 | F -4 3 m | 5.475; 5.475; 5.475 90; 90; 90 | 164.117 | Parthe, E.; Yvon, K.; Deitch, R.H. The crystal structure of Cu2 Cd Ge S4 and other quaternary normal tetrahedral structure componds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1164-1174 |
| 2106768 | CIF | Cu Se | P 63/m m c | 3.604; 3.604; 14.597 90; 90; 120 | 164.196 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
| 2108392 | CIF | Ge Te | P n m a | 7.369; 3.9249; 5.698 90; 90; 90 | 164.8 | Herrmann, Markus Guido; Stoffel, Ralf Peter; Küpers, Michael; Ait Haddouch, Mohammed; Eich, Andreas; Glazyrin, Konstantin; Grzechnik, Andrzej; Dronskowski, Richard; Friese, Karen New insights on the GeSe<i>~{ıt x~</i>}Te~1{-~<i>x</i>} phase diagram from theory and experiment Acta Crystallographica Section B, 2019, 75 |
| 2106164 | CIF | Co In3 | P 4/m b m | 6.83; 6.83; 3.547 90; 90; 90 | 165.464 | Stadelmaier, H.H.; Schoebel, J.D.; Jones, R.A.; Shumaker, C.A. The crystal structure of stoichiometric Co In3 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2926-2929 |
| 2106351 | CIF | Be5.11 Rh0.79 | P -6 m 2 | 4.191; 4.191; 10.886 90; 90; 120 | 165.59 | Johnson, Q.; Krikorian, O.H.; Smith, G.S. The crystal structure of Rh Be6.6 Acta Crystallographica B (24,1968-38,1982), 1970, 26, 109-113 |
| 2105393 | CIF | Au3.96 Cr1.04 | I 4/m | 6.398; 6.398; 4.046 90; 90; 90 | 165.621 | Watanabe, Y.; Iwasaki, H. Lattice modulation in the Mo Ni4-type structure of Au4 Cr Acta Crystallographica B (39,1983-), 1984, 40, 373-376 |
| 2104951 | CIF Paper | Rb2 S | P 63/m m c | 5.30756; 5.30756; 6.80615 90; 90; 120 | 166.044 | Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions Acta Crystallographica Section B, 2011, 67, 109-115 |
| 2310786 | CIF Paper | Al4.78 O9.61 Si1.22 | P b a m | 7.5757; 7.6651; 2.885 90; 90; 90 | 167.528 | Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368 |
| 2108042 | CIF HKL | Al4.847 O9.577 Si1.153 | P b a m | 7.5817; 7.6752; 2.8843 90; 90; 90 | 167.84 | Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon Ordered vacancy distribution in 2/1 mullite: a superspace model Acta Crystallographica Section B, 2017, 73 |
| 2310785 | CIF Paper | Al4.8 O9.6 Si1.2 | P b a m | 7.5911; 7.6924; 2.8899 90; 90; 90 | 168.752 | Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368 |
| 2100668 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 4.949; 7.704; 4.96 90; 116.7; 90 | 168.9 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 9007682 | CIF | Co S2 | P a -3 | 5.5385; 5.5385; 5.5385 90; 90; 90 | 169.893 | Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model Acta Crystallographica, Section B, 1991, 47, 650-659 |
| 2106831 | CIF | H14 N2 O6 Pt | R -3 :R | 5.668; 5.668; 5.668 77.01; 77.01; 77.01 | 169.954 | Bandel, G.; Platte, C.; Troemel, M. Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV) Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1544-1546 |
| 2106873 | CIF | Cl K O3 | P 1 21/m 1 | 4.63; 5.568; 7.047 90; 110.21; 90 | 170.486 | Danielsen, J.; Larsen, F.K.; Hazell, A. The Structure of Potassium Chlorate at 77 and 298 K Acta Crystallographica B (24,1968-38,1982), 1981, 37, 913-915 |
| 9017338 | CIF | O2 Si | P 41 21 2 | 4.9727; 4.9727; 6.9257 90; 90; 90 | 171.257 | Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75 |
| 2105436 | CIF | B4 Hf Ir3 | P 63/m | 7.548; 7.548; 3.487 90; 90; 120 | 172.047 | Rogl, P. The crystal structure of Zr Ir3 B4 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 721-724 |
| 2105794 | CIF HKL Paper | Ba2 Ca0.07 Cu3 O6.85 Y0.93 | P m m m | 3.8114; 3.8712; 11.6824 90; 90; 90 | 172.37 | Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers Acta Crystallographica Section B, 2014, 70, 236-242 |
| 9011175 | CIF | Ba F I | P 4/n m m :2 | 4.654; 4.654; 7.962 90; 90; 90 | 172.455 | Liebich, W.; Nicollin, D. Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure Acta Crystallographica, Section B, 1977, 33, 2790-2794 |
| 2100673 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 4.9921; 5.137; 7.2 90; 110.87; 90 | 172.53 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2107953 | CIF | Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 | P 4/m m m | 3.8526; 3.8526; 11.666 90; 90; 90 | 173.15 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2100672 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 5.031; 5.132; 7.167 90; 110.6; 90 | 173.2 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2310042 | CIF Paper | Bi0.727 Mo0.273 O1.909 | F2/m(\a0\g)0s | 5.64477; 5.63038; 5.4499 90; 89.7498; 90 | 173.208 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2105796 | CIF HKL | Al0.3 Ba1.92 Ca0.2 Cu2.7 O6.76 Y0.88 | P 4/m m m | 3.8595; 3.8595; 11.6456 90; 90; 90 | 173.47 | Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers Acta Crystallographica Section B, 2014, 70, 236-242 |
| 2107952 | CIF Paper | Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 | P 4/m m m | 3.8551; 3.8551; 11.6782 90; 90; 90 | 173.56 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2105411 | CIF | B3.76 Ir3 Zr | P 63/m | 7.56; 7.56; 3.512 90; 90; 120 | 173.832 | Rogl, P. The crystal structure of Zr Ir3 B4 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 721-724 |
| 2105795 | CIF HKL | Al0.06 Ba2 Ca0.06 Cu2.94 O6.81 Y0.94 | P m m m | 3.838; 3.8735; 11.6947 90; 90; 90 | 173.859 | Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers Acta Crystallographica Section B, 2014, 70, 236-242 |
| 2107236 | CIF | Ba2 Cu3 O6.54 Y | P m m m | 3.847; 3.875; 11.7 90; 90; 90 | 174.413 | Buttner, R.H.; Maslen, E.N.; Spadaccini, N. A position-space model for superconductivity in YBa2Cu3O7-x Acta Crystallographica B (39,1983-), 1992, 48, 21-30 |
| 2310039 | CIF Paper | Bi0.737 Mo0.263 O1.895 | F2(\a0\g)0 | 5.66785; 5.64098; 5.45603 90; 89.6677; 90 | 174.439 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2104741 | CIF Paper | As Fe S | P -1 | 5.74339; 5.66981; 5.78711 90; 112.191; 90 | 174.49 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
| 2104752 | CIF Paper | As Fe S | P -1 | 5.74336; 5.66981; 5.78711 90; 112.19; 90 | 174.49 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
| 2107237 | CIF | Ba2 Cu3 O6.78 Y | P m m m | 3.842; 3.886; 11.69 90; 90; 90 | 174.532 | Buttner, R.H.; Maslen, E.N.; Spadaccini, N. A position-space model for superconductivity in Y Ba2 Cu3 O7-x Acta Crystallographica B (39,1983-), 1992, 48, 21-30 |
| 2106767 | CIF | Cu Se | P 63/m m c | 3.658; 3.658; 15.106 90; 90; 120 | 175.052 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
| 2101581 | CIF Paper | Cl3 Cs Eu | P 4 m m | 5.588; 5.588; 5.619 90; 90; 90 | 175.5 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
| 2105374 | CIF | Ag4 Sc | I 4/m | 6.574; 6.574; 4.0686 90; 90; 90 | 175.835 | Venteicher, R.F.; Gschneidner, K.A.jr.; McMasters, O.D. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1224-1229 |
| 9011214 | CIF | As O4 Sb | P 1 21/m 1 | 4.794; 6.925; 5.307 90; 93.55; 90 | 175.846 | Jones, P. G.; Sheldrick, G. M.; Schwarzmann, E. Antimony(III) arsenic(V) oxide Acta Crystallographica, Section B, 1980, 36, 1923-1925 |
| 2108652 | CIF HKL | Cl Na | F m -3 m | 5.6035; 5.6035; 5.6035 90; 90; 90 | 175.95 | Tsirelson, Vladimir; Stash, Adam Orbital-free quantum crystallography: view on forces in crystals Acta Crystallographica Section B, 2020, 76 |
| 2100804 | CIF Paper | Ba2 Cu3 O6 Y | P 4/m m m | 3.86; 3.86; 11.813 90; 90; 90 | 176.05 | Sasaki, S.; Inoue, Z.; Iyi, N.; Takekawa, S. Electron density study of YBa~2~Cu~3~O~6+{δ~} Acta Crystallographica Section B, 1992, 48, 393-400 |
| 2310040 | CIF Paper | Bi0.75 Mo0.25 O1.875 | F2/m(\a0\g)0s | 5.70284; 5.64841; 5.46579 90; 89.5999; 90 | 176.06 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2108749 | CIF HKL | C2 H5 Na O | P -4 21 m | 4.41084; 4.41084; 9.06779 90; 90; 90 | 176.418 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2312137 | CIF HKL | Co Ga Mg | P 63/m m c | 5.0151; 5.0151; 8.1086 90; 90; 120 | 176.62 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut A new ternary derivative of the Laves phases in the Mg-Co-Ga system. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79 |
| 2108702 | CIF HKL | Nd Te1.923 | P 4/n m m :1 | 4.4274; 4.4274; 9.029 90; 90; 90 | 176.99 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
| 2102219 | CIF Paper | ? | P -3 m 1 | 5.846; 5.846; 5.9941 90; 90; 120 | 177.408 | Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~ Acta Crystallographica Section B, 2004, 60, 32-40 |
| 9007643 | CIF | C O2 | P a -3 | 5.624; 5.624; 5.624 90; 90; 90 | 177.884 | Simon, A.; Peters, K. Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K Acta Crystallographica, Section B, 1980, 36, 2750-2751 |
| 2310041 | CIF Paper | Bi0.769 Mo0.231 O1.846 | F2(\a0\g)0 | 5.76634; 5.64745; 5.46529 90; 89.7935; 90 | 177.977 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2106141 | CIF | Ca O2 P2 Zn2 | P -3 | 5.18; 5.18; 7.67 90; 90; 120 | 178.232 | Czaya, R. Dehydration and transformation phases of Scholzite Ca Zn2 (P O4)2 (H2 O)2 Acta Crystallographica B (24,1968-38,1982), 1972, 28, 322-323 |
| 2104292 | CIF Paper | B3 Bi O6 | C 1 | 7.4781; 3.934; 6.2321 93.728; 102.933; 90.756 | 178.24 | Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M. High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data Acta Crystallographica Section B, 2009, 65, 1-10 |
| 2108701 | CIF HKL | Pr Te1.942 | P 4/n m m :1 | 4.4535; 4.4535; 9.047 90; 90; 90 | 179.44 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
| 2100671 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 5.1; 5.212; 7.262 90; 111.6; 90 | 179.5 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 1001659 | CIF | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8234; 3.8234; 12.384 90; 90; 90 | 181 | Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-), 1995, 51, 18-22 |
| 2101254 | CIF Paper | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8234; 3.8234; 12.384 90; 90; 90 | 181 | Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~ Acta Crystallographica Section B, 1995, 51, 18-22 |
| 2106196 | CIF | O | C c m m | 5.835; 2.568; 12.082 90; 90; 90 | 181.04 | Michiue, Y.; Onoda, M.; Kimizuka, N.; Watanabe, M.; Brown, F. Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2 (x=0.61) composite crystal Acta Crystallographica B (39,1983-), 2001, 57, 458-465 |
| 2106669 | CIF | Pd Pu | P n m a | 7.036; 4.55; 5.663 90; 90; 90 | 181.294 | Cromer, D.T. The structure of Pu Pd Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1760-1761 |
| 1001657 | CIF | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8271; 3.8271; 12.385 90; 90; 90 | 181.4 | Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-), 1995, 51, 18-22 |
| 2100665 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.07; 7.185; 5.501 90; 115.11; 90 | 181.45 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100664 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.065; 7.181; 5.508 90; 115.07; 90 | 181.46 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2103181 | CIF Paper | C6 H12 N3 O P | R 3 m :R | 5.8847; 5.8847; 5.8847 104.09; 104.09; 104.09 | 181.512 | Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H. Some 60 new space-group corrections Acta Crystallographica Section B, 2002, 58, 62-77 |
| 2101252 | CIF Paper | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8271; 3.8271; 12.395 90; 90; 90 | 181.55 | Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1{-~<i>x</i>}Cu~2~O~7{-~δ} Acta Crystallographica Section B, 1995, 51, 18-22 |
| 2102792 | CIF Paper | ? | R -3 m :H | 3.04245; 3.04245; 22.6641426 90; 90; 120 | 181.68 | Radha A. V.; Kamath, P. Vishnu; Shivakumara, C. Order and disorder among the layered double hydroxides: a combined Rietveld and DIFFaX approach Acta Crystallographica, Section B: Structural Science, 2007, 63, 243-250 |
| 2106174 | CIF | H3 Li O2 | C 1 2/m 1 | 7.37; 8.26; 3.19 90; 110.3; 90 | 182.133 | Alcock, N.W. Refinement of the crystal structure of lithium hydroxide monohydrate Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1682-1683 |
| 2101253 | CIF Paper | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8356; 3.8356; 12.39 90; 90; 90 | 182.2 | Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~ Acta Crystallographica Section B, 1995, 51, 18-22 |
| 1001658 | CIF | Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 | P 4/m m m | 3.8356; 3.8356; 12.39 90; 90; 90 | 182.3 | Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-), 1995, 51, 18-22 |
| 2100704 | CIF Paper | Ni4 Ti3 | R -3 :R | 6.6695; 6.6695; 6.6695 113.838; 113.838; 113.838 | 182.39 | Tirry, Wim; Schryvers, Dominique; Jorissen, Kevin; Lamoen, Dirk Electron-diffraction structure refinement of Ni~4~Ti~3~ precipitates in Ni~52~Ti~48~ Acta Crystallographica Section B, 2006, 62, 966-971 |
| 2100667 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.078; 7.204; 5.528 90; 115.24; 90 | 182.9 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 9007683 | CIF | Ni S2 | P a -3 | 5.6765; 5.6765; 5.6765 90; 90; 90 | 182.912 | Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model, T = 135 K Acta Crystallographica, Section B, 1991, 47, 650-659 |
| 9007560 | CIF | N Na O3 | R -3 m :H | 5.084; 5.084; 8.175 90; 90; 120 | 182.991 | Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 290 C Acta Crystallographica, Section B, 1972, 28, 2700-2702 |
| 9007567 | CIF | N Na O3 | R -3 m :H | 5.084; 5.084; 8.175 90; 90; 120 | 182.991 | Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 290 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702 |
| 2100666 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.102; 7.197; 5.535 90; 115.18; 90 | 183.93 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2102793 | CIF Paper | ? | R -3 m :H | 3.066045; 3.066045; 22.5931129 90; 90; 120 | 183.93 | Radha A. V.; Kamath, P. Vishnu; Shivakumara, C. Order and disorder among the layered double hydroxides: a combined Rietveld and DIFFaX approach Acta Crystallographica, Section B: Structural Science, 2007, 63, 243-250 |
| 2106582 | CIF | C0.5 H9 Al Co2 O9 | R -3 m :H | 3.066045; 3.066045; 22.59311 90; 90; 120 | 183.935 | Radha, A.V.; Kamath, P.V.; Shivakumara, C. Order and disorder among the layered double hydroxides: A combined Rietveld and DIFFaX approach Acta Crystallographica B (39,1983-), 2007, 63, 243-250 |
| 2101141 | CIF Paper | H3 Li O2 | C 1 2/m 1 | 7.4153; 8.3054; 3.195 90; 110.107; 90 | 184.778 | Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C. Structural, vibrational and electronic properties of a crystalline hydrate from <i>ab initio</i> periodic Hartree‒Fock calculations Acta Crystallographica Section B, 1994, 50, 268-279 |
| 2101248 | CIF Paper | C4 D6 | C 1 2/m 1 | 7.15889; 6.45529; 4.07818 90; 101.053; 90 | 184.967 | Ibberson, R. M.; Prager, M. The <i>Ab initio</i> crystal-structure determination of perdeuterodimethylacetylene by high-resolution neutron powder diffraction Acta Crystallographica Section B, 1995, 51, 71-76 |
| 2105365 | CIF | Ag4 Lu | I 4/m | 6.6696; 6.6696; 4.1581 90; 90; 90 | 184.967 | McMasters, O.D.; Gschneidner, K.A.jr.; Venteicher, R.F. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1224-1229 |
| 2101637 | CIF Paper | Cu S2 | P 1 21 1 | 5.704; 5.703; 5.704 90; 89.99; 90 | 185.5 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Acta Crystallographica Section B, 1996, 52, 899-904 |
| 9007695 | CIF | Co0.13 Cu0.53 Fe0.07 Ni0.27 S2 | P 1 21 1 | 5.704; 5.703; 5.704 90; 89.99; 90 | 185.551 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Sample: 2 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1996, 52, 899-904 |
| 9007694 | CIF | Co0.06 Cu0.68 Fe0.11 Ni0.15 S2 | P 1 21 1 | 5.709; 5.707; 5.708 90; 90.01; 90 | 185.974 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Sample: 1 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1996, 52, 899-904 |
| 2101636 | CIF Paper | Cu S2 | P 1 21 1 | 5.709; 5.707; 5.708 90; 90.01; 90 | 186 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Acta Crystallographica Section B, 1996, 52, 899-904 |
| 2106248 | CIF | N2 Sb U2 | I 4/m m m | 3.8937; 3.8937; 12.3371 90; 90; 90 | 187.042 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X=Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
| 2103190 | CIF Paper | C6 H12 N3 P | R 3 m :R | 6.024; 6.024; 6.024 105.94; 105.94; 105.94 | 187.069 | Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H. Some 60 new space-group corrections Acta Crystallographica Section B, 2002, 58, 62-77 |
| 2108700 | CIF HKL | La Te1.933 | P 4/n m m :1 | 4.5226; 4.5226; 9.147 90; 90; 90 | 187.09 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
| 2102762 | CIF Paper | D0.46 Li2 Si | C m m m | 11.9099; 3.76253; 4.1754 90; 90; 90 | 187.105 | Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J. Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge) Acta Crystallographica Section B, 2007, 63, 63-68 |
| 2101599 | CIF Paper | C D3 F | P 1 21/n 1 | 6.4373; 7.5023; 3.9598 90; 101.842; 90 | 187.167 | Ibberson, R. M.; Prager, M. The <i>ab initio</i> crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction Acta Crystallographica Section B, 1996, 52, 892-895 |
| 9011221 | CIF | C2 Na2 O4 | P 1 21/c 1 | 3.449; 5.243; 10.375 90; 92.66; 90 | 187.41 | Reed, D. A.; Olmstead, M. M. Sodium oxalate structure refinement Sample: T = 140 K Acta Crystallographica, Section B, 1981, 37, 938-939 |
| 2312381 | CIF HKL | Al F H2 O2 | P 1 21/c 1 | 5.1788; 7.8386; 5.1624 90; 116.276; 90 | 187.91 | Zubkova, Natalia V.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu Zharchikhite, AlF(OH)<sub>2</sub>: a novel structure type related to α-PbO<sub>2</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
| 2107302 | CIF | Al2.427 O3.64 | C 1 2/m 1 | 11.854; 2.904; 5.622 90; 103.83; 90 | 187.921 | Zhou, R.-S.; Snyder, R.L. Structures and transformation mechanisms of the eta, gamma and theta transition aluminas Acta Crystallographica B (39,1983-), 1991, 47, 617-630 |
| 2101455 | CIF Paper | Cu Nd2 O4 | I 4/m m m | 3.9379; 3.9379; 12.14 90; 90; 90 | 188.256 | Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J. X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K Acta Crystallographica Section B, 1996, 52, 93-99 |
| 2106163 | CIF | Cu0.25 In0.25 Se Zn0.5 | F -4 3 m | 5.733; 5.733; 5.733 90; 90; 90 | 188.428 | Parthe, E.; Yvon, K.; Deitch, R.H. The crystal structure of Cu2 Cd Ge S4 and other quaternary normal tetrahedral structure componds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1164-1174 |
| 1008912 | CIF | O6 V2 W | P 42/m n m | 4.6213; 4.6213; 8.8864 90; 90; 90 | 189.8 | Hodeau, J L; Gondrand, M; Labeau, M; Joubert, J C Structure cristalline de W2 O6 sur monocristal a 298 et 383K Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3543-3547 |
| 1008913 | CIF | O6 V2 W | P 42/m n m | 4.6212; 4.6212; 8.8959 90; 90; 90 | 190 | Hodeau, J L; Gondrand, M; Labeau, M; Joubert, J C Structure cristalline de W~2~ O~6~ sur monocristal a 298 et 383K Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3543-3547 |
| 2101454 | CIF Paper | Cu Nd2 O4 | I 4/m m m | 3.9488; 3.9488; 12.1869 90; 90; 90 | 190.03 | Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J. X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K Acta Crystallographica Section B, 1996, 52, 93-99 |
| 2102500 | CIF Paper | Cu1.8 Se | F m -3 m | 5.7762; 5.7762; 5.7762 90; 90; 90 | 192.72 | Machado, K. D.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.; Maurmann, C. E.; Gasperini, A. A. M.; Souza, S. M.; Pimenta, A. F. Structural study of Cu~2{-~<i>x</i>}Se alloys produced by mechanical alloying Acta Crystallographica Section B, 2004, 60, 282-286 |
| 2106262 | CIF | Cu5 O10 P2 | P -1 | 7.603; 5.304; 5.2 111.66; 90.19; 82.56 | 193.024 | Brunel-Lauegt, M.; Guitel, J.C. Structure cristalline de Cu5 O2 (P O4)2 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3465-3468 |
| 2105478 | CIF | Ga Se | P -6 m 2 | 3.743; 3.743; 15.919 90; 90; 120 | 193.146 | Cenzual, K.; Gelato, L.M.; Penzo, M.; Parthe, E. Inorganic structure types with revised space groups.I. Acta Crystallographica B, 1991, 47, 433-439 |
| 9007512 | CIF | Ca2 H4 Mn O10 P2 | P -1 | 5.79; 6.57; 5.51 102.27; 108.67; 90.3 | 193.428 | Fanfani, L.; Nunzi, A.; Zanazzi, P. F. The crystal structure of fairfieldite Acta Crystallographica, Section B, 1970, 26, 640-645 |
| 2106250 | CIF | Bi N2 U2 | I 4/m m m | 3.9292; 3.9292; 12.548 90; 90; 90 | 193.724 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X=Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
| 2107044 | CIF | O5 Te2 | P 1 21 1 | 5.368; 4.696; 7.955 90; 104.82; 90 | 193.86 | Lindqvist, O.; Moret, J. The crystal structure of ditellurium pentoxide, Te2 O5 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 643-650 |
| 9007638 | CIF | K Na O4 S | P 3 m 1 | 5.6066; 5.6066; 7.177 90; 90; 120 | 195.377 | Okada, K.; Ossaka, J. Structures of potassium sodium sulphate and tripotassium sodium disulphate Acta Crystallographica, Section B, 1980, 36, 919-921 |
| 2104694 | CIF HKL Paper | Ga0.1818 O1.0909 Zn0.8181 | Cmcm(00\g)000 | 3.2494; 19.722; 3.0513 90; 90; 90 | 195.54 | Michiue, Yuichi; Kimizuka, Noboru Superspace description of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i> Acta Crystallographica Section B, 2010, 66, 117-129 |
| 2106136 | CIF | C4 Th4 | F m -3 m | 5.806; 5.806; 5.806 90; 90; 90 | 195.718 | Bowman, A.L.; Krikorian, H.N.; Arnold, G.P.; Wallace, T.C.; Nereson, N.G. The crystal structure of Th C2 Acta Crystallographica B (24,1968-38,1982), 1968, 24, 1121-1123 |
| 9011321 | CIF | Cl2 Cu3 H6 Mg O6 | P -3 m 1 | 6.2733; 6.2733; 5.7472 90; 90; 120 | 195.875 | Malcherek, T.; Schluter, J. Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond Acta Crystallographica, Section B, 2007, 63, 157-160 |
| 2102738 | CIF Paper | Cl2 Cu3 H6 Mg O6 | P -3 m 1 | 6.2733; 6.2733; 5.7472 90; 90; 120 | 195.88 | Malcherek, Thomas; Schlüter, Jochen Cu~3~MgCl~2~(OH)~6~ and a redetermination of bond valence parameters for the OH—Cl bond Acta Crystallographica, Section B, 2007, 63, 157-160 |
| 2106493 | CIF | Na O5 V2 | P 21 m n | 11.318; 3.611; 4.797 90; 90; 90 | 196.05 | Carpy, A.; Galy, J. Affinement de la structure cristalline du bronze Na V2 O5 alpha' Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1481-1482 |
| 2106766 | CIF | Cu Se | P 63/m m c | 3.778; 3.778; 15.908 90; 90; 120 | 196.639 | Milman, V. Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling Acta Crystallographica B (39,1983-), 2002, 58, 437-447 |
| 2102499 | CIF Paper | Cu2 Se | F 2 3 | 5.8164; 5.8164; 5.8164 90; 90; 90 | 196.772 | Machado, K. D.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.; Maurmann, C. E.; Gasperini, A. A. M.; Souza, S. M.; Pimenta, A. F. Structural study of Cu~2{-~<i>x</i>}Se alloys produced by mechanical alloying Acta Crystallographica Section B, 2004, 60, 282-286 |
| 2106249 | CIF | N2 Te U2 | I 4/m m m | 3.9631; 3.9631; 12.561 90; 90; 90 | 197.285 | Benz, R.; Zachariasen, W.H. Crystal structure of the compounds U2 N2 X and Th2 N2 X with X=Sb, Te, and Bi Acta Crystallographica B (24,1968-38,1982), 1970, 26, 823-827 |
| 2104693 | CIF HKL Paper | Ga0.25 O1.25 Zn0.75 | Cmmm(00\g)0s0 | 3.2465; 19.64; 3.0979 90; 90; 90 | 197.53 | Michiue, Yuichi; Kimizuka, Noboru Superspace description of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i> Acta Crystallographica Section B, 2010, 66, 117-129 |
| 2105347 | CIF | Ag N O3 | R 3 m :H | 5.196; 5.196; 8.49 90; 90; 120 | 198.507 | Capponi, J.J.; Meyer, P. Structure d'une phase 'haute temperature' du nitrate d'argent Acta Crystallographica B (24,1968-38,1982), 1982, 38, 2543-2546 |
| 2002892 | CIF Paper | Al1.95 Na1.95 O4 Si0.05 | P 41 21 2 | 5.2997; 5.2997; 7.0758 90; 90; 90 | 198.74 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
| 2106266 | CIF | Am Cl3 | P 63/m | 7.382; 7.382; 4.214 90; 90; 120 | 198.872 | Burns, J.H.; Peterson, J.R. Refinement of the crystal structure of Am Cl3 Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1885-1887 |
| 2104291 | CIF Paper | B3 Bi O6 | C 1 2 1 | 7.3786; 4.3992; 6.3388 90; 104.374; 90 | 199.32 | Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M. High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data Acta Crystallographica Section B, 2009, 65, 1-10 |
| 2106081 | CIF | Ga4 Na | I 4/m m m | 4.223; 4.223; 11.19 90; 90; 90 | 199.559 | Bruzzone, G. The Al4 Ba structure type in intermetallic compounds Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1206-1207 |
| 2106928 | CIF | Sr | P 3 1 c | 6.646; 6.646; 5.226 90; 90; 120 | 199.904 | Onoda, M.; Saeki, M.; Yamamoto, A.; Kato, K. Structure refinement of the incommensurate composite crystal Sr1.145 Ta S3 through the Rietveld analysis process Acta Crystallographica B (39,1983-), 1993, 49, 929-936 |
| 2107255 | CIF | Nb2 Se3 | P 1 21/m 1 | 6.503; 3.434; 9.215 90; 103.39; 90 | 200.189 | Kadijk, F.; Huisman, R.; Jellinek, F. The crystal structures of niobium(III) selenide and tantalum(III) selenide Acta Crystallographica B (24,1968-38,1982), 1968, 24, 1102-1106 |
| 2102112 | CIF Paper | ? | I 41/a m d :2 | 5.20713; 5.20713; 7.40141 90; 90; 90 | 200.683 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
| 2102113 | CIF Paper | ? | I m m a | 5.19096; 5.21235; 7.41751 90; 90; 90 | 200.696 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
| 2102114 | CIF Paper | ? | I m m a | 5.17349; 5.22109; 7.43197 90; 90; 90 | 200.747 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
| 2101703 | CIF Paper | Mg0.9 Na1.8 O4 Si1.1 | P 41 21 2 | 5.33; 5.33; 7.086 90; 90; 90 | 201.3 | Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates Acta Crystallographica Section B, 1997, 53, 203-220 |
| 2108027 | CIF HKL Paper | Fe2 O3 | C 1 2/c 1 | 9.61865; 5.03554; 13.75158 90; 162.404; 90 | 201.349 | Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32 |
| 2107184 | CIF | Cl4 K2 Pd | P 4/m m m | 7.0259; 7.0259; 4.0797 90; 90; 90 | 201.387 | Takazawa, H.; Ohba, S.; Saito, Y. Electron-density distribution in crystals of dipotassium tetrachloropalladate(II) and dipotassium hexachloropalladate (IV), K2(PdCl4) and K2(PdCl6) at 120K Acta Crystallographica B (39,1983-), 1988, 44, 580-585 |
| 2105434 | CIF | B4 Eu O7 | P n m 21 | 4.435; 10.731; 4.24 90; 90; 90 | 201.79 | Machida, K.I.; Shiokawa, J.; Adachi, G.Y. Structure of Europium(II) Tetraborate Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2008-2011 |
| 2101132 | CIF Paper | F6 Li2 Mo | P42 mnm | 4.6863; 4.6863; 9.191 90; 90; 90 | 201.8 | Baur, W. H. Space group of the trirutile type structure of Li~2~MoF~6~ Acta Crystallographica Section B, 1994, 50, 141-146 |
| 2101133 | CIF Paper | F6 Li2 Mo | P 42 21 2 | 4.6863; 4.6863; 9.191 90; 90; 90 | 201.8 | Baur, W. H. Space group of the trirutile type structure of Li~2~MoF~6~ Acta Crystallographica Section B, 1994, 50, 141-146 |
| 2106325 | CIF | Cr0.3333 I2 Mn0.6666 | B 1 1 2/m | 7.441; 7.448; 3.978 90; 90; 113.66 | 201.932 | Guen, L.; Nguyen, H.D. Manganese(II) chrome(II) diiodure: phase beta des (Mn, Cr) I2 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 311-312 |
| 2106057 | CIF | F0.8 Mo4 O11.2 | C m c m | 3.878; 13.96; 3.732 90; 90; 90 | 202.039 | Pierce, J.W.; Vlasse, M. The crystal structures of two oxyfluorides of molybdenum Acta Crystallographica B (24,1968-38,1982), 1971, 27, 158-163 |
| 2106829 | CIF | H12 Ni O9 S | R 3 :R | 5.898; 5.898; 5.898 95.4; 95.4; 95.4 | 202.253 | Baggio, S.; Becka, L.N. A reinvestigation of the structure of nickel sulphite hexahydrate, Ni S O3 (H2 O)6 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1150-1155 |
| 2106243 | CIF | Mg Na2 O4 Si | P 1 n 1 | 7.015; 5.484; 5.26 90; 89.97; 90 | 202.354 | Baur, W.H.; Shannon, R.D.; Ohta, T. Structure of magnesium disodium silicate Na2 Mg Si O4 and ionic conductivity in tetrahedral structures Acta Crystallographica B (24,1968-38,1982), 1981, 37, 1483-1491 |
| 1100081 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J W; Fuess, H; Elerman, Y Deformation density in magnesium sulfite hexahydrate. Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
| 1100082 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
| 1100083 | CIF | H12 Mg O9 S | R 3 :R | 5.911; 5.911; 5.911 96.25; 96.25; 96.25 | 202.6 | Bats, J. W.; Fuess, H.; Elerman, Y. Deformation density in magnesium sulfite hexahydrate Acta Crystallographica B (39,1983-), 1986, 42, 552-557 |
| 2102090 | CIF Paper | K Li O4 S | P 63 | 5.202; 5.202; 8.647 90; 90; 120 | 202.65 | Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B, 2000, 56, 607-617 |
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