Search results

Formula: - C3 H7 N O3 -
Comments: Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P. The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution Acta Crystallographica Section A Foundations of Crystallography 61(3) (2005) 314-320
Space group: P 1 21/a 1
Cell volume: 454.82
Cell parameters: 10.7355; 9.1456; 4.8304; 90; 106.46; 90;

COD ID: 2019333

Formula: - C3 H7 N O3 -
Comments: Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P. The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution Acta Crystallographica Section A Foundations of Crystallography 61(3) (2005) 314-320
Space group: P 1 21/a 1
Cell volume: 452.83
Cell parameters: 10.7621; 9.1771; 4.7883; 90; 106.76; 90;

COD ID: 2019334

Formula: - C3 H7 N O3 -
Comments: Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P. The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution Acta Crystallographica Section A Foundations of Crystallography 61(3) (2005) 314-320
Space group: P 1 21/a 1
Cell volume: 453.13
Cell parameters: 10.7764; 9.1947; 4.7788; 90; 106.87; 90;

COD ID: 2019335

Formula: - C24 H36 O3 -
Comments: Dittrich, B.; Strumpel, M.; Schäfer, M.; Spackman, M. A.; Koritsánszky, T. Invarioms for improved absolute structure determination of light-atom crystal structures Acta Crystallographica Section A Foundations of Crystallography 62(3) (2006) 217-223
Space group: P 21 21 21
Cell volume: 2060.72
Cell parameters: 7.7228; 14.2576; 18.7153; 90; 90; 90;

COD ID: 2019352

Formula: - C5 H12 O5 -
Comments: Madsen, Anders Østergaard; Sørensen, Henning Osholm; Flensburg, Claus; Stewart, Robert F.; Larsen, Sine Modeling of the nuclear parameters for H atoms in X-ray charge-density studies Acta Crystallographica Section A Foundations of Crystallography 60(6) (2004) 550-561
Space group: P 21 21 21
Cell volume: 656.3
Cell parameters: 8.264; 8.901; 8.9223; 90; 90; 90;

COD ID: 2019353

Formula: - H2 Li2 O5 S -
Comments: Schmidt, O.; Gorfman, S.; Bohatý, L.; Neumann, E.; Engelen, B.; Pietsch, U. Investigations of the bond-selective response in a piezoelectric Li2SO4·H2O crystal to an applied external electric field Acta Crystallographica Section A Foundations of Crystallography 65(4) (2009) 267-275
Space group: P 1 21 1
Cell volume: 204.823
Cell parameters: 5.4484; 4.8339; 8.1407; 90; 107.191; 90;

COD ID: 2019354

Formula: - C3 H6 N6 O6 -
Comments: Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography 67(2) (2011) 160-173
Space group: P b c a
Cell volume: 1579.3
Cell parameters: 11.379; 10.5694; 13.1314; 90; 90; 90;

COD ID: 2019355

COD ID: 2019356

Formula: - C3 H6 N6 O6 -
Comments: Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography 67(2) (2011) 160-173
Space group: P b c a
Cell volume: 1597.27
Cell parameters: 11.4425; 10.6106; 13.1558; 90; 90; 90;

COD ID: 2019357

Formula: - C3 H6 N6 O6 -
Comments: Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography 67(2) (2011) 160-173
Space group: P b c a
Cell volume: 1597.27
Cell parameters: 11.4425; 10.6106; 13.1558; 90; 90; 90;

COD ID: 2019358

Formula: - C3 H6 N6 O6 -
Comments: Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography 67(2) (2011) 160-173
Space group: P b c a
Cell volume: 1644.46
Cell parameters: 11.6103; 10.7291; 13.2013; 90; 90; 90;

COD ID: 2019359

Formula: - C3 H6 N6 O6 -
Comments: Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX Acta Crystallographica Section A Foundations of Crystallography 67(2) (2011) 160-173
Space group: P b c a
Cell volume: 1644.46
Cell parameters: 11.6103; 10.7291; 13.2013; 90; 90; 90;

COD ID: 2019360

Formula: - C68 H100 B2 N4 O16 P8 Rh2 -
Comments: Makal, Anna; Trzop, Elzbieta; Sokolow, Jesse; Kalinowski, Jaroslaw; Benedict, Jason; Coppens, Philip The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex Acta Crystallographica Section A Foundations of Crystallography 67(4) (2011) 319-326
Space group: P 1 21/n 1
Cell volume: 7948.4
Cell parameters: 13.9783; 20.2046; 28.1465; 90; 90.842; 90;

COD ID: 2019366
CIF file	Formula: - C33 H26 - Comments: Luger, Peter; Messerschmidt, Marc; Scheins, Stephan; Wagner, Armin High-resolution synchrotron data collection for charge-density work at 100 and 20 K Acta Crystallographica Section A Foundations of Crystallography 60(5) (2004) 390-396 Space group: C 1 2/c 1 Cell volume: 4660 Cell parameters: 26.232; 10.399; 19.618; 90; 119.45; 90;

COD ID: 2019367
CIF file	Formula: - C8 H15 N7 O2 S3 - Comments: Overgaard, Jacob; Hibbs, David E. The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine Acta Crystallographica Section A Foundations of Crystallography 60(5) (2004) 480-487 Space group: P 1 21/c 1 Cell volume: 1401.41 Cell parameters: 11.9115; 7.1876; 16.6236; 90; 100.045; 90;

COD ID: 2019368
CIF file	Formula: - C8 H15 N7 O2 S3 - Comments: Overgaard, Jacob; Hibbs, David E. The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine Acta Crystallographica Section A Foundations of Crystallography 60(5) (2004) 480-487 Space group: P 1 21/n 1 Cell volume: 1417.6 Cell parameters: 16.98; 5.285; 17.639; 90; 116.416; 90;

COD ID: 2019369

Formula: - C H4 N2 O -
Comments: Birkedal, Henrik; Madsen, Dennis; Mathiesen, Ragnvald H.; Knudsen, Kenneth; Weber, Hans-Peter; Pattison, Philip; Schwarzenbach, Dieter The charge density of urea from synchrotron diffraction data Acta Crystallographica Section A Foundations of Crystallography 60(5) (2004) 371-381
Space group: P -4 21 m
Cell volume: 145.8
Cell parameters: 5.578; 5.578; 4.686; 90; 90; 90;

COD ID: 2019370

Formula: - C32 H72 B N -
Comments: Stilinović, Vladimir; Kaitner, Branko Comparative refinement of correct and incorrect structural models of tetrabutylammonium tetrabutylborate ‒ pitfalls arising from poor-quality data Acta Crystallographica Section A Foundations of Crystallography 66(4) (2010) 441-445
Space group: I 41/a :2
Cell volume: 3782.9
Cell parameters: 18.9089; 18.9089; 10.5803; 90; 90; 90;

COD ID: 2019371

Formula: - C32 H72 B N -
Comments: Stilinović, Vladimir; Kaitner, Branko Comparative refinement of correct and incorrect structural models of tetrabutylammonium tetrabutylborate ‒ pitfalls arising from poor-quality data Acta Crystallographica Section A Foundations of Crystallography 66(4) (2010) 441-445
Space group: I 41/a :2
Cell volume: 3818
Cell parameters: 18.958; 18.958; 10.624; 90; 90; 90;

COD ID: 2019465
CIF file	Formula: - Mn2 O3 - Comments: Klein, H.; David, J. The quality of precession electron diffraction data is higher than necessary for structure solution of unknown crystalline phases Acta Crystallographica, Section A: Foundations of Crystallography 67(3) (2011) 297-302 Space group: I a -3 Cell volume: 833.238 Cell parameters: 9.41; 9.41; 9.41; 90; 90; 90;

COD ID: 2310002
CIF file Original IUCr paper	Formula: - C2 H5 N O2 - Comments: Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander Experimental dynamic electron densities of multipole models at different temperatures Acta Crystallographica Section A 68(5) (2012) 568-581 Space group: P 1 21/n 1 Cell volume: 303.21 Cell parameters: 5.087; 11.773; 5.46; 90; 111.99; 90;

COD ID: 2310003
CIF file Original IUCr paper	Formula: - C3 H7 N O3 - Comments: Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander Experimental dynamic electron densities of multipole models at different temperatures Acta Crystallographica Section A 68(5) (2012) 568-581 Space group: P 1 21/a 1 Cell volume: 453.13 Cell parameters: 10.7764; 9.1947; 4.7788; 90; 106.87; 90;

COD ID: 2310004
CIF file Original IUCr paper	Formula: - C3 H7 N O3 - Comments: Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander Experimental dynamic electron densities of multipole models at different temperatures Acta Crystallographica Section A 68(5) (2012) 568-581 Space group: P 1 21/a 1 Cell volume: 452.83 Cell parameters: 10.7621; 9.1771; 4.7883; 90; 106.76; 90;

COD ID: 2310005
CIF file Original IUCr paper	Formula: - C3 H7 N O3 - Comments: Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander Experimental dynamic electron densities of multipole models at different temperatures Acta Crystallographica Section A 68(5) (2012) 568-581 Space group: P 1 21/a 1 Cell volume: 454.82 Cell parameters: 10.7355; 9.1456; 4.8304; 90; 106.46; 90;

COD ID: 2310006

Formula: - C8 H12 Cl N O3 -
Comments: Dadda, Noureddine; Nassour, Ayoub; Guillot, Beno?ît; Benali-Cherif, Nourredine; Jelsch, Christian Charge-density analysis and electrostatic properties of 2-carboxy-4-methylanilinium chloride monohydrate obtained using a multipolar and a spherical-charges model Acta Crystallographica Section A 68(4) (2012) 452-463
Space group: P 1 21/c 1
Cell volume: 969
Cell parameters: 10.0511; 4.9629; 19.5625; 90; 96.772; 90;

COD ID: 2310007
CIF file Original IUCr paper	Formula: - C4 H9 N O3 - Comments: Dittrich, B.; Sze, E.; Holstein, J. J.; Hübschle, C. B.; Jayatilaka, D. Crystal-field effects in <small>L</small>-homoserine: multipoles <i>versus</i> quantum chemistry Acta Crystallographica Section A 68(4) (2012) 435-442 Space group: P 21 21 21 Cell volume: 570.166 Cell parameters: 9.1735; 11.4736; 5.4171; 90; 90; 90;

COD ID: 2310008

Formula: - C7 H16 Cu Mn N2 O11 -
Comments: Deutsch, Maxime; Claiser, Nicolas; Pillet, Sébastien; Chumakov, Yurii; Becker, Pierre; Gillet, Jean-Michel; Gillon, Béatrice; Lecomte, Claude; Souhassou, Mohamed Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data Acta Crystallographica Section A 68(6) (2012) 675-686
Space group: P n m a
Cell volume: 1404.92
Cell parameters: 12.7158; 21.352; 5.1745; 90; 90; 90;

COD ID: 2310072
CIF file	Formula: - Ag2 Eu Si2 - Comments: Felner, I.; Cohen, J.; Mayer, I. X-ray and Moessbauer effect data of Eu M2 Si2 Acta Crystallographica A (24,1968-38,1982) 28 (1972) S102-S102 Space group: I 4/m m m Cell volume: 193.712 Cell parameters: 4.17; 4.17; 11.14; 90; 90; 90;

COD ID: 2310074
CIF file	Formula: - Ag3.36 Ga0.63 - Comments: Sen Gupta, S.P.; Halder, S.K. An X-ray determination of the thermal expansion of alpha-phase Ag - Ga alloys at high temperatures Acta Crystallographica A (24,1968-38,1982) 30 (1974) 844-845 Space group: F m -3 m Cell volume: 67.708 Cell parameters: 4.0758; 4.0758; 4.0758; 90; 90; 90;

COD ID: 2310077
CIF file	Formula: - Au Mn2 - Comments: Wells, P.; Smith, J.H. The structure of Mn2 Au and Mn3 Au Acta Crystallographica A (24,1968-38,1982) 26 (1970) 379-381 Space group: I 4/m m m Cell volume: 94.574 Cell parameters: 3.328; 3.328; 8.539; 90; 90; 90;

COD ID: 2310081
CIF file	Formula: - Au2 Cl6 Cs2 - Comments: Schulz, H.; Denner, W.; d'Amour, H. The Influence of High Hydrostatic Pressure on the Crystal Structure of Cesium Gold Chloride (Cs2Au(I)Au(II)Cl6 in the Range up to 52 x 10e8 Pa Acta Crystallographica A (24,1968-38,1982) 35 (1979) 360-365 Space group: I 4/m m m Cell volume: 572.75 Cell parameters: 7.33; 7.33; 10.66; 90; 90; 90;

COD ID: 2310082
CIF file	Formula: - Au2 Cl6 Cs2 - Comments: Denner, W.; d'Amour, H.; Schulz, H. The Influence of High Hydrostatic Pressure on the Crystal Structure of Cesium Gold Chloride (Cs2Au(I)Au(II)Cl6 in the Range up to 52 x 10e8 Pa Acta Crystallographica A (24,1968-38,1982) 35 (1979) 360-365 Space group: I 4/m m m Cell volume: 517.275 Cell parameters: 7.185002; 7.185002; 10.02; 90; 90; 90;

COD ID: 2310109
CIF file	Formula: - B4.2 Pd0.84 Th - Comments: Jansen, J.; Tang, D.; Zandbergen, H. W.; Schenk, H. MSLS, a Least-Squares Procedure for Accurate Crystal Structure Refinement from Dynamical Electron Diffraction Patterns Acta Crystallographica Section A 54(1) (1998) 91-101 Space group: P m -3 Cell volume: 74.088 Cell parameters: 4.2; 4.2; 4.2; 90; 90; 90;

COD ID: 2310113
CIF file Original IUCr paper	Formula: - Al72.515 Cr4.928 Fe7.853 Pd22.498 - Comments: Fujita, Nobuhisa; Takano, Hikari; Yamamoto, Akiji; Tsai, An-Pang Cluster-packing geometry for Al-based F-type icosahedral alloys Acta Crystallographica Section A 69(3) (2013) 322-340 Space group: P a -3 Cell volume: 66629.6 Cell parameters: 40.5405; 40.5405; 40.5405; 90; 90; 90;

COD ID: 2310114

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.579
Cell parameters: 6.0903; 3.4959; 11.8348; 90; 103.917; 90;

COD ID: 2310115

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.46
Cell parameters: 6.091; 3.4928; 11.8372; 90; 103.901; 90;

COD ID: 2310116

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 245.096
Cell parameters: 6.0988; 3.4954; 11.8455; 90; 103.927; 90;

COD ID: 2310117

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.39
Cell parameters: 6.0909; 3.4916; 11.8401; 90; 103.935; 90;

COD ID: 2310118

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.63
Cell parameters: 6.0931; 3.4921; 11.8409; 90; 103.842; 90;

COD ID: 2310119

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.54
Cell parameters: 6.0893; 3.4965; 11.8311; 90; 103.883; 90;

COD ID: 2310120

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.996
Cell parameters: 6.0954; 3.4948; 11.8499; 90; 103.939; 90;

COD ID: 2310121

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.85
Cell parameters: 6.0937; 3.4929; 11.8533; 90; 103.948; 90;

COD ID: 2310122

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 247.26
Cell parameters: 6.118; 3.5042; 11.883; 90; 103.93; 90;

COD ID: 2310123

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.92
Cell parameters: 6.0939; 3.4965; 11.8441; 90; 103.951; 90;

COD ID: 2310124

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 243.786
Cell parameters: 6.0889; 3.487; 11.8299; 90; 103.93; 90;

COD ID: 2310125

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 245.294
Cell parameters: 6.0988; 3.497; 11.8494; 90; 103.922; 90;

COD ID: 2310126

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.66
Cell parameters: 6.092; 3.4919; 11.8481; 90; 103.898; 90;

COD ID: 2310127

Formula: - C2 H6 O6 -
Comments: Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A 70(1) (2014) 72-91
Space group: P 1 21/c 1
Cell volume: 244.54
Cell parameters: 6.095; 3.4881; 11.8462; 90; 103.842; 90;

COD ID: 2310130

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 924.5
Cell parameters: 9.854; 9.249; 10.144; 90; 90; 90;

COD ID: 2310131

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 924.7
Cell parameters: 9.853; 9.251; 10.145; 90; 90; 90;

COD ID: 2310132

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 926.2
Cell parameters: 9.866; 9.25; 10.149; 90; 90; 90;

COD ID: 2310133

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 928.7
Cell parameters: 9.884; 9.253; 10.155; 90; 90; 90;

COD ID: 2310134

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 931.06
Cell parameters: 9.9026; 9.2485; 10.1662; 90; 90; 90;

COD ID: 2310135

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 936.55
Cell parameters: 9.9408; 9.2479; 10.1875; 90; 90; 90;

COD ID: 2310136

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 941.99
Cell parameters: 9.9748; 9.2492; 10.2103; 90; 90; 90;

COD ID: 2310137

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 949.32
Cell parameters: 10.0123; 9.2556; 10.2441; 90; 90; 90;

COD ID: 2310138

COD ID: 2310139

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 936.55
Cell parameters: 9.9408; 9.2479; 10.1875; 90; 90; 90;

COD ID: 2310140

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 941.99
Cell parameters: 9.9748; 9.2492; 10.2103; 90; 90; 90;

COD ID: 2310141

Formula: - C7 H13 N O5 -
Comments: Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-U~iso~ in the riding hydrogen model Acta Crystallographica Section A 70(4) (2014) 309-316
Space group: P 21 21 21
Cell volume: 949.32
Cell parameters: 10.0123; 9.2556; 10.2441; 90; 90; 90;

COD ID: 2310143

Formula: - C13 H15 N O6 -
Comments: Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A.; Edwards, Alison J.; Dominiak, Paulina M.; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon Hirshfeld atom refinement for modelling strong hydrogen bonds Acta Crystallographica Section A 70(5) (2014) 483-498
Space group: P 1 21 1
Cell volume: 640.1
Cell parameters: 10.905; 5.2338; 11.439; 90; 101.36; 90;

COD ID: 2310144

COD ID: 2310146
CIF file Original IUCr paper	Formula: - C4 H8 N2 O3 - Comments: Dos Santos, Leonardo H. R.; Genoni, Alessandro; Macchi, Piero Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density Acta Crystallographica Section A 70(6) (2014) 532-551 Space group: P 1 21/c 1 Cell volume: 566.562 Cell parameters: 7.9798; 9.5201; 7.7643; 90; 106.151; 90;

COD ID: 2310149

Formula: - C60.41 H53.29 I6 N12 O2.44 Zn3 -
Comments: Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method Acta Crystallographica Section A 71(1) (2015)
Space group: C 1 2/c 1
Cell volume: 16436
Cell parameters: 34.346; 15.114; 32.5502; 90; 103.415; 90;

COD ID: 2310150

Formula: - C55.61 H47.39 Cl2.1 I6 N12 Zn3 -
Comments: Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method Acta Crystallographica Section A 71(1) (2015)
Space group: C 1 2/c 1
Cell volume: 15726
Cell parameters: 34.936; 14.9785; 30.825; 90; 102.857; 90;

COD ID: 2310151

Formula: - C411.01 H417.06 Cl1.65 I47.98 N96 O20.41 Zn23.99 -
Comments: Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method Acta Crystallographica Section A 71(1) (2015)
Space group: P 1 21 1
Cell volume: 33764
Cell parameters: 34.966; 14.8683; 66.99; 90; 104.191; 90;

COD ID: 2310152

Formula: - C37.44 H25.44 Cl4.32 I6 N12 Zn3 -
Comments: Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method Acta Crystallographica Section A 71(1) (2015)
Space group: C 1 2/c 1
Cell volume: 15573
Cell parameters: 34.655; 14.7307; 31.081; 90; 101.031; 90;

COD ID: 2310190
CIF file	Formula: - Rh3 U - Comments: Faber, J.jr.; Lander, G.H.; Brown, P.J.; Delapalme, A. Neutron diffraction study of thermal parameters in U X3 compounds Acta Crystallographica A (24,1968-38,1982) 37 (1981) 558-565 Space group: P m -3 m Cell volume: 63.426 Cell parameters: 3.988; 3.988; 3.988; 90; 90; 90;

COD ID: 2310239
CIF file	Formula: - Nb Ru3 - Comments: Popova, S.V. The crystal structures of new superconducting materials obtained by high pressure treatment Acta Crystallographica A (24,1968-38,1982) 31 (1975) 99-99 Space group: P m -3 m Cell volume: 58.411 Cell parameters: 3.88; 3.88; 3.88; 90; 90; 90;

COD ID: 2310269
CIF file	Formula: - K0.02 Na0.98 Nb O2 - Comments: Athee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982) 34 (1978) 309-317 Space group: P 2 m m Cell volume: 491.41 Cell parameters: 7.9004; 7.8362; 7.9376; 90; 90; 90;

COD ID: 2310291

Formula: - Bi1.11 Ca0.8 Cu2 O8.144 Sr1.82 -
Comments: Gao, Y.; Coppens, P.; Cox, D. E.; Moodenbaugh, A. R. Combined x-ray single-crystal and neutron powder refinement of modulated structures and application to the incommensurately modulated structure of Bi~2~Sr~2~CaCu~2~O~8+y~ Acta Crystallographica Section A 49(1) (1993) 141-148
Space group: A m a a
Cell volume: 903.702
Cell parameters: 5.408; 5.413; 30.871; 90; 90; 90;

COD ID: 2310292

Formula: - Bi1.05 Ca0.96 Cu2 O8.144 Sr1.75 -
Comments: Gao, Y.; Coppens, P.; Cox, D. E.; Moodenbaugh, A. R. Combined x-ray single-crystal and neutron powder refinement of modulated structures and application to the incommensurately modulated structure of Bi~2~Sr~2~CaCu~2~O~8+y~ Acta Crystallographica Section A 49(1) (1993) 141-148
Space group: A m a a
Cell volume: 904.896
Cell parameters: 5.415; 5.4149; 30.861; 90; 90; 90;

COD ID: 2310293
CIF file	Formula: - Fe0.8 Ga V2.2 - Comments: Girgis, K. Chrystallographic studies on ternary superconductors of the A15 type Acta Crystallographica A (24,1968-38,1982) 31 (1975) 899-899 Space group: P m -3 n Cell volume: 106.766 Cell parameters: 4.744; 4.744; 4.744; 90; 90; 90;

COD ID: 2310295
CIF file	Formula: - Cu0.85 Ga0.15 - Comments: Halder, S.K.; Sen Gupta, S.P. An X-ray determination of the thermal expansion of silver and copper base alloys at high temperatures. II. Cu - Ga Acta Crystallographica A (24,1968-38,1982) 31 (1975) 158-159 Space group: F m -3 m Cell volume: 48.919 Cell parameters: 3.6573; 3.6573; 3.6573; 90; 90; 90;

COD ID: 2310325
CIF file	Formula: - Cu2 Ni Zn - Comments: van der Vegt, W.H.M.; van der Wegen, G.J.L.; Bronsveld, P.M.; de Hosson, J.T.M. The lattice parameter of Cu2 Ni Zn Acta Crystallographica A (24,1968-38,1982) 37 (1981) 101-101 Space group: P 4/m m m Cell volume: 48.03 Cell parameters: 3.635; 3.635; 3.635; 90; 90; 90;

COD ID: 2310326

Formula: - Cl4 K2 Zn -
Comments: Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A. Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations Acta Crystallographica Section A 57(3) (2001) 264-271
Space group: P n a m
Cell volume: 783.1
Cell parameters: 9.046; 12.579; 6.882; 90; 90; 90;

COD ID: 2310327

Formula: - Cl4 K2 Zn -
Comments: Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A. Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations Acta Crystallographica Section A 57(3) (2001) 264-271
Space group: P n a 21
Cell volume: 2481.26
Cell parameters: 27.251; 12.578; 7.239; 90; 90; 90;

COD ID: 2310328
CIF file	Formula: - Al2 O5 Si - Comments: Oganov, A. P.; Price, G. D.; Brodholt, J. P. Theoretical investigation of metastable Al~2~SiO~5~ polymorphs Acta Crystallographica Section A 57(5) (2001) 548-557 Space group: P b n m Cell volume: 319.09 Cell parameters: 7.151; 7.54; 5.918; 90; 90; 90;

COD ID: 2310329
CIF file	Formula: - Al2 O5 Si - Comments: Oganov, A. P.; Price, G. D.; Brodholt, J. P. Theoretical investigation of metastable Al~2~SiO~5~ polymorphs Acta Crystallographica Section A 57(5) (2001) 548-557 Space group: P n n m Cell volume: 336.196 Cell parameters: 7.679; 7.727; 5.666; 90; 90; 90;

COD ID: 2310330
CIF file	Formula: - Al2 O5 Si - Comments: Oganov, A. P.; Price, G. D.; Brodholt, J. P. Theoretical investigation of metastable Al~2~SiO~5~ polymorphs Acta Crystallographica Section A 57(5) (2001) 548-557 Space group: P b n m Cell volume: 265.01 Cell parameters: 5.891; 7.443; 6.044; 90; 90; 90;

COD ID: 2310396
CIF file	Formula: - H3 O6 Rb Se2 - Comments: Grimm, H.; Fitzgerald, W.J. A neutron investigation of the low-temperature structure of Rb H3 (Se O3)2 Acta Crystallographica A (24,1968-38,1982) 34 (1978) 268-274 Space group: P 21 21 21 Cell volume: 1328.57 Cell parameters: 5.9192; 17.9506; 12.5038; 90; 90; 90;

COD ID: 2310399
CIF file	Formula: - Al Ho O3 - Comments: Hammann, J.; Ocio, M. Etude par diffraction neutronique a 0.04 K de la perovskite d'aluminium et d'holmium Acta Crystallographica A (24,1968-38,1982) 33 (1977) 975-978 Space group: P b n m Cell volume: 203.331 Cell parameters: 5.182; 5.324; 7.37; 90; 90; 90;

COD ID: 2310464
CIF file	Formula: - Fe2 O6 W - Comments: Pinto, H.; Shaked, H.; Melamud, M. Magnetic structure of Fe2 W O6, a neutron diffraction study Acta Crystallographica A (24,1968-38,1982) 33 (1977) 663-667 Space group: P b c n Cell volume: 381.074 Cell parameters: 4.576; 16.766; 4.967; 90; 90; 90;

COD ID: 2310494
CIF file	Formula: - N3 Na - Comments: Stevens, E.D.; Hope, H. A study of the electron-density distribution in sodium azide, Na N3 Acta Crystallographica A (24,1968-38,1982) 33 (1977) 723-729 Space group: R -3 m :H Cell volume: 175.252 Cell parameters: 3.646; 3.646; 15.223; 90; 90; 120;

COD ID: 2310495
CIF file	Formula: - K N3 - Comments: Stevens, E.D. Experimental charge density distribution in potassium azide by diffraction methods Acta Crystallographica A (24,1968-38,1982) 33 (1977) 580-584 Space group: I 4/m c m Cell volume: 265.878 Cell parameters: 6.1188; 6.1188; 7.1015; 90; 90; 90;

COD ID: 2310514
CIF file	Formula: - O2.12 U - Comments: Willis, B.T.M. The defect structure of hyper-stoichiometric uranium dioxide Acta Crystallographica A (24,1968-38,1982) 34 (1978) 88-90 Space group: F m -3 m Cell volume: 161.087 Cell parameters: 5.4411; 5.4411; 5.4411; 90; 90; 90;

COD ID: 2310631
CIF file	Formula: - K Mn O4 - Comments: Marabello, D.; Bianchi, R.; Cargnoni, F.; Gervasio, G. An experimental (120 K) and theoretical electron-density study of KMnO~4~ and KClO~4~ Acta Crystallographica Section A 60(5) (2004) 494-501 Space group: P n m a Cell volume: 375.488 Cell parameters: 9.0509; 5.6381; 7.3582; 90; 90; 90;

COD ID: 2310687
CIF file	Formula: - O3 Sr Ti - Comments: Tsuda, K.; Tanaka, M. Refinement of crystal structure parameters using convergent-beam electron diffraction: the low-temperature phase of SrTiO~3~ Acta Crystallographica Section A 51(1) (1995) 7-19 Space group: I 4/m c m Cell volume: 236.773 Cell parameters: 5.511; 5.511; 7.796; 90; 90; 90;

COD ID: 2310707

Formula: - Co F12 H18 N6 P2 -
Comments: Schiebel, P.; Prandl, W.; Papoular, R.; Paulus, W. Almost Free Rotation of NH~3~ Molecules in Crystals: Observation from a Maximum-Entropy Reconstruction of the Proton Density in [Co(NH~3~)~6~](PF~6~)~2~ Acta Crystallographica Section A 52(2) (1996) 189-197
Space group: F m -3 m
Cell volume: 1623.48
Cell parameters: 11.753; 11.753; 11.753; 90; 90; 90;

COD ID: 2310708
CIF file	Formula: - Se Ti2 - Comments: Albe, K.; Weirich, T. E. Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations Acta Crystallographica Section A 59(1) (2003) 18-21 Space group: P n n m Cell volume: 589.785 Cell parameters: 11.752; 14.534; 3.453; 90; 90; 90;

COD ID: 2310709
CIF file	Formula: - Se Ti2 - Comments: Albe, K.; Weirich, T. E. Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations Acta Crystallographica Section A 59(1) (2003) 18-21 Space group: P n m a Cell volume: 589.33 Cell parameters: 17.923; 3.455; 9.517; 90; 90; 90;

COD ID: 2310710
CIF file	Formula: - O2 Ti - Comments: Weirich, T. E.; Winterer, M.; Seifried, S.; Mayer, J. Structure of nanocrystalline anatase solved and refined from electron powder data Acta Crystallographica Section A 58(4) (2002) 308-315 Space group: I 41/a m d :2 Cell volume: 144.167 Cell parameters: 3.872; 3.872; 9.616; 90; 90; 90;

COD ID: 2310711
CIF file	Formula: - O8.94 U4 - Comments: Cooper, R. I.; Willis, B. T. M. Refinement of the structure of β-U~4~O~9~ Acta Crystallographica Section A 60(4) (2004) 322-325 Space group: F -4 3 m Cell volume: 161.879 Cell parameters: 5.45; 5.45; 5.45; 90; 90; 90;

COD ID: 2310712
CIF file	Formula: - O8.938 U4 - Comments: Cooper, R. I.; Willis, B. T. M. Refinement of the structure of β-U~4~O~9~ Acta Crystallographica Section A 60(4) (2004) 322-325 Space group: I -4 3 d Cell volume: 10367.4 Cell parameters: 21.805; 21.805; 21.805; 90; 90; 90;

COD ID: 2310713
CIF file	Formula: - Se3 Ti8 - Comments: Weirich, T. E. First-principles calculations as a tool for structure validation in electron crystallography Acta Crystallographica Section A 60(1) (2004) 75-81 Space group: C 1 2/m 1 Cell volume: 1457.62 Cell parameters: 25.56; 3.44; 19.7; 90; 122.7; 90;

COD ID: 2310714
CIF file	Formula: - Se4 Ti11 - Comments: Weirich, T. E. First-principles calculations as a tool for structure validation in electron crystallography Acta Crystallographica Section A 60(1) (2004) 75-81 Space group: C 1 2/m 1 Cell volume: 1483.94 Cell parameters: 25.51; 3.43; 19.19; 90; 117.9; 90;

COD ID: 2310715
CIF file	Formula: - Se16 Ti45 - Comments: Weirich, T. E. First-principles calculations as a tool for structure validation in electron crystallography Acta Crystallographica Section A 60(1) (2004) 75-81 Space group: C 1 2/m 1 Cell volume: 2076.82 Cell parameters: 36.31; 3.45; 16.59; 90; 92.1; 90;

COD ID: 2310716
CIF file	Formula: - Na O3 Ta - Comments: Ahtee, M.; Unonius, L. The structure of Na Ta O3 by X-ray powder diffraction Acta Crystallographica A (24,1968-38,1982) 33 (1977) 150-154 Space group: P c m n Cell volume: 234.764 Cell parameters: 5.513; 7.7508; 5.4941; 90; 90; 90;

COD ID: 2310717
CIF file	Formula: - F Tl - Comments: Alcock, N.W. The crystal structure of thallous fluoride Acta Crystallographica A (24,1968-38,1982) 25 (1969) S101-S101 Space group: P m a 2 Cell volume: 173.015 Cell parameters: 5.175; 6.092; 5.488; 90; 90; 90;

COD ID: 2310718
CIF file	Formula: - Fe0.856 O - Comments: Andersson, B.; Sleines, J.O. Decomposition and ordering in Fe(1-x) O Acta Crystallographica A (24,1968-38,1982) 33 (1977) 268-276 Space group: A b m 2 Cell volume: 9896.82 Cell parameters: 21.46999; 21.46999; 21.46999; 90; 90; 90;

COD ID: 2310721
CIF file	Formula: - D4 N2 O3 - Comments: Ahtee, M.; Hewat, A.W.; Kurki-Suonio, K.; Lucas, B.W. Determination of molecular orientations in cubic N D4 N O3 by multipole analysis Acta Crystallographica A (24,1968-38,1982) 35 (1979) 591-597 Space group: P m -3 m Cell volume: 83.196 Cell parameters: 4.3655; 4.3655; 4.3655; 90; 90; 90;

COD ID: 2310722

Formula: - Nb4 O12 Th -
Comments: Alario-Franco, M.A.; Grey, I.E.; Labeau, M.; Joubert, J.C.; Vincent, H. Structural studies on a-cation-deficient perovskite-related phases. I. Th Nb4 O12. Thorium vacancy ordering in slow-cooled samples Acta Crystallographica A (24,1968-38,1982) 38 (1982) 177-186
Space group: I m m m
Cell volume: 1435.06
Cell parameters: 16.551; 5.517; 15.716; 90; 90; 90;

COD ID: 2310723

Formula: - Nb4 O12 Th -
Comments: Alario-Franco, M.A.; Grey, I.E.; Joubert, J.C.; Vincent, H.; Labeau, M. Structural studies on a-cation-deficient perovskite-related phases. I. Th Nb4 O12. Thorium vacancy ordering in slow-cooled samples Acta Crystallographica A (24,1968-38,1982) 38 (1982) 177-186
Space group: P m a m
Cell volume: 239.176
Cell parameters: 5.517; 5.517; 7.858; 90; 90; 90;

COD ID: 2310730
CIF file	Formula: - Na2 O19 Ti9 - Comments: Bando, Y. Combination of Convergent-Beam Electron Diffraction and 1 MeV Structure Imaging in a Structure Determination of Na2 Ti9 O19 Acta Crystallographica A (24,1968-38,1982) 38 (1982) 211-214 Space group: C 1 2/m 1 Cell volume: 694.896 Cell parameters: 12.2; 3.78; 15.6; 90; 105; 90;

COD ID: 2310805
CIF file	Formula: - K0.1 Na0.9 Nb O3 - Comments: Ahtee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982) 34 (1978) 309-317 Space group: P 4/m b m Cell volume: 122.736 Cell parameters: 5.5783; 5.5783; 3.9443; 90; 90; 90;

COD ID: 2310806
CIF file	Formula: - K0.8 Na0.2 Nb O3 - Comments: Ahtee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982) 34 (1978) 309-317 Space group: P 1 m 1 Cell volume: 489.934 Cell parameters: 7.9162; 7.835; 7.8993; 90; 90.325; 90;

COD ID: 2310807
CIF file	Formula: - Cl2 Fe H4 O2 - Comments: Schneider, W.; Weitzel, H. Bestimmung der Magnetischen Phasen von Eisen(II)-chlorid-doppelhydrat, Fe Cl2 (H2 0)2, und Kobalt(II)-chlorid-doppelhydrat, Co Cl2 (H2 O)2, mit Neutronenbeugung Acta Crystallographica A (24,1968-38,1982) 32 (1976) 32-37 Space group: C 1 2/m 1 Cell volume: 216.999 Cell parameters: 7.25; 8.4; 3.6; 90; 98.2; 90;

COD ID: 2310808
CIF file	Formula: - K0.65 Na0.35 Nb O3 - Comments: Athee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982) 34 (1978) 309-317 Space group: P 1 m 1 Cell volume: 498.866 Cell parameters: 7.9751; 7.862; 7.9565; 90; 90.34; 90;

COD ID: 2310809
CIF file	Formula: - O8 P2 Pb3 - Comments: Guimaraes, D.M.C. Ferroelastic transformations in lead orthophosphate and its structure as a function of temperature Acta Crystallographica A (24,1968-38,1982) 35 (1979) 108-114 Space group: C 1 2/c 1 Cell volume: 722.825 Cell parameters: 13.8; 5.691; 9.42; 90; 102.3; 90;

COD ID: 2310820
CIF file	Formula: - H Na O - Comments: Bleif, H.J.; Dachs, H. Crystalline modifications and structural phase transitions of Na O H and Na O D Acta Crystallographica A (24,1968-38,1982) 38 (1982) 470-476 Space group: P 1 21/m 1 Cell volume: 65.879 Cell parameters: 3.345; 3.445; 6.08; 90; 109.9; 90;

COD ID: 2310821
CIF file	Formula: - D Na O - Comments: Bleif, H.J.; Dachs, H. Crystalline modifications and structural phase transitions of Na O H and Na O D Acta Crystallographica A (24,1968-38,1982) 38 (1982) 470-476 Space group: F m -3 m Cell volume: 132.651 Cell parameters: 5.1; 5.1; 5.1; 90; 90; 90;

COD ID: 2310824
CIF file	Formula: - O64 V51.61 - Comments: Morinaga, M.; Cohen, J.B. The defect structure of V Ox. The ordered phase, V O1.3 Acta Crystallographica A (24,1968-38,1982) 35 (1979) 745-756 Space group: I 41/a m d :2 Cell volume: 1134.53 Cell parameters: 11.707; 11.707; 8.278; 90; 90; 90;

COD ID: 2310957
CIF file	Formula: - N Ta - Comments: Popova, S.V. The crystal structures of new superconducting meterials obtained by high pressure treatment Acta Crystallographica A (24,1968-38,1982) 31 (1975) S99-S99 Space group: F m -3 m Cell volume: 82.768 Cell parameters: 4.358; 4.358; 4.358; 90; 90; 90;

COD ID: 2310995
CIF file	Formula: - Ni Se - Comments: Srivastava, M.M.; Srivastava, O.N. Studies of structure, electrical resistivity, and modulated structures in Fe Se and Ni Se alloys Acta Crystallographica A (24,1968-38,1982) 31 (1975) S82-S82 Space group: P 63/m m c Cell volume: 94.845 Cell parameters: 4.04; 4.04; 6.71; 90; 90; 120;

COD ID: 2311012
CIF file	Formula: - O3 Pb2 - Comments: Bouvaist, J.; Weigel, D. Sesquioxyde de plomb, Pb2 O3. I. Determination de la structure Acta Crystallographica A (24,1968-38,1982) 26 (1970) 501-510 Space group: P 1 21/c 1 Cell volume: 305.622 Cell parameters: 7.565; 5.625; 7.814; 90; 113.2; 90;

COD ID: 2311042

Formula: - Cl Na -
Comments: Juhás, Pavol; Farrow, Christopher L.; Yang, Xiaohao; Knox, Kevin R.; Billinge, Simon J. L. Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems Acta Crystallographica Section A 71(6) (2015) 562-568
Space group: F m -3 m
Cell volume: 177.504
Cell parameters: 5.62; 5.62; 5.62; 90; 90; 90;

COD ID: 2311057
CIF file	Formula: - Ca3 Fe2 H7.4 O12 Si1.15 - Comments: Cohen-Addad, C. Etude du compose Ca3 Fe2 (Si O4)1.15 (O H)7.4 par absorption infrarouge et diffraction des rayons X et des neutrons Acta Crystallographica A (24,1968-38,1982) 27 (1971) 68-70 Space group: I a -3 d Cell volume: 1948.44 Cell parameters: 12.49; 12.49; 12.49; 90; 90; 90;

COD ID: 2311059
CIF file	Formula: - K0.02 Na0.98 Nb O3 - Comments: Ahtee, M.; Hewat, A.W. The structures of Na0.98 K0.02 Nb O3 and Na0.9 K0.1 Nb O3 (phase Q) at room temperature by neutron powder diffraction Acta Crystallographica A (24,1968-38,1982) 31 (1975) 846-850 Space group: P 1 m 1 Cell volume: 478.843 Cell parameters: 7.8567; 7.767; 7.8478; 90; 90.856; 90;

COD ID: 2311060
CIF file	Formula: - K0.1 Na0.9 Nb O3 - Comments: Ahtee, M.; Hewat, A.W. The Structures of Na.98 K.02 Nb O3 and Na.90 K.10 Nb O3 (Phase Q) at Room Temperature by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982) 31 (1975) 846-850 Space group: P 1 m 1 Cell volume: 482.681 Cell parameters: 7.8782; 7.792; 7.8632; 90; 90.479; 90;

COD ID: 2311061

Formula: - C3 H12 N6 O4 S4 Zn -
Comments: Cole, J. M.; McIntyre, G. J.; Lehmann, M. S.; Myles, D. A. A.; Wilkinson, C.; Howard, J. A. K. Rapid neutron-diffraction data collection for hydrogen-bonding studies: application of the Laue diffractometer (LADI) to the case study zinc tris(thiourea) sulfate Acta Crystallographica Section A 57(4) (2001) 429-434
Space group: P c a 21
Cell volume: 1329.69
Cell parameters: 11.0616; 7.7264; 15.558; 90; 90; 90;

COD ID: 2311066

Formula: - P Ti2 -
Comments: Gemmi, M.; Zou, X.-D.; Migliori, A.; Hovmöller, S.; Vennstrom, M.; Andersson, Y. Structure of Ti~2~P solved by three-dimensional electron diffraction data collected with the precession technique and high-resolution electron microscopy Acta Crystallographica Section A 59(2) (2003) 117-126
Space group: P -6 2 m
Cell volume: 1194.49
Cell parameters: 19.969; 19.969; 3.4589; 90; 90; 120;

COD ID: 2311071
CIF file	Formula: - Mg O3 Si - Comments: Sasaki, S.; Fujino, K.; Takeuchi, Y.; Sadanaga, R. On the estimation of atomic charges by the X-ray method for some oxides and silicates Acta Crystallographica A (24,1968-38,1982) 36 (1980) 904-915 Space group: P b c a Cell volume: 832.493 Cell parameters: 18.227; 8.819; 5.179; 90; 90; 90;

COD ID: 2311081

Formula: - C15 H12 N2 O -
Comments: van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A 72(2) (2016) 236-242
Space group: P 1 21/n 1
Cell volume: 1183
Cell parameters: 7.578; 11.176; 13.991; 90; 93.08; 90;

COD ID: 2311082

Formula: - C6 H5 N O2 -
Comments: van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A 72(2) (2016) 236-242
Space group: P 1 21/c 1
Cell volume: 573
Cell parameters: 7.303; 11.693; 7.33; 90; 113.68; 90;

COD ID: 2311083

Formula: - C15 H12 N2 O -
Comments: van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A 72(2) (2016) 236-242
Space group: P 1 21/n 1
Cell volume: 1182
Cell parameters: 7.576; 11.188; 13.967; 90; 87.03; 90;

COD ID: 2311084

Formula: - C6 H5 N O2 -
Comments: van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A 72(2) (2016) 236-242
Space group: P 1 21/c 1
Cell volume: 582
Cell parameters: 7.41; 11.692; 7.377; 90; 114.45; 90;

COD ID: 2311085

Formula: - C15 H12 N2 O -
Comments: van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A 72(2) (2016) 236-242
Space group: P 1 21/n 1
Cell volume: 1222.72
Cell parameters: 7.68; 11.44; 13.92; 90; 91.22; 90;

COD ID: 2311086
CIF file	Formula: - C H4 N2 O - Comments: Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory Acta Crystallographica Section A 72(2) (2016) 206-214 Space group: P -4 21 m Cell volume: 145.8 Cell parameters: 5.578; 5.578; 4.686; 90; 90; 90;

COD ID: 2311087
CIF file	Formula: - C3 H7 N O2 - Comments: Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A 73(2) (2017) 102-114 Space group: P 21 21 21 Cell volume: 421.092 Cell parameters: 5.928; 12.26; 5.794; 90; 90; 90;

COD ID: 2311088

Formula: - C10 H8 -
Comments: Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to L-alanine, naphthalene and xylitol Acta Crystallographica Section A 73(2) (2017) 102-114
Space group: P 1 21/c 1
Cell volume: 342.438
Cell parameters: 7.8248; 5.9349; 8.0997; 90; 114.441; 90;

COD ID: 2311089
CIF file	Formula: - C5 H12 O5 - Comments: Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A 73(2) (2017) 102-114 Space group: P 21 21 21 Cell volume: 656.124 Cell parameters: 8.262; 8.9; 8.923; 90; 90; 90;

COD ID: 2311090
CIF file	Formula: - C10 H8 - Comments: Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A 73(2) (2017) 102-114 Space group: P 1 21/c 1 Cell volume: 342.2 Cell parameters: 7.808; 5.943; 8.097; 90; 114.4; 90;

COD ID: 2311094
CIF file HKL data	Formula: - C11 H15 B O2 - Comments: Fournier, Bertrand; Guillot, Beno?ît; Lecomte, Claude; Escudero-Adán, Eduardo C.; Jelsch, Christian A method to estimate statistical errors of properties derived from charge-density modelling Acta Crystallographica Section A 74(3) (2018) 170-183 Space group: P b c a Cell volume: 2167.21 Cell parameters: 7.52; 9.3837; 30.712; 90; 90; 90;

COD ID: 2311095
CIF file Original IUCr paper	Formula: - C2 H4 N2 O2 - Comments: Tanaka, Kiyoaki X-ray molecular orbital analysis. I. Quantum mechanical and crystallographic framework Acta Crystallographica Section A 74(4) (2018) 345-356 Space group: P 1 21/a 1 Cell volume: 179.34 Cell parameters: 8.952; 6.1946; 3.4927; 90; 112.19; 90;

COD ID: 2311096

Formula: - C16 H18 O5 -
Comments: Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter Reducing dynamical electron scattering reveals hydrogen atoms Acta Crystallographica Section A 75(1) (2019) 82-93
Space group: P 21 21 21
Cell volume: 1421
Cell parameters: 8.015; 10.015; 17.703; 90; 90; 90;

COD ID: 2311097
CIF file HKL data	Formula: - C18 H16 N2 O6 S2 - Comments: Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter Reducing dynamical electron scattering reveals hydrogen atoms Acta Crystallographica Section A 75(1) (2019) 82-93 Space group: P 21 21 21 Cell volume: 1809.8 Cell parameters: 10.996; 12.452; 13.218; 90; 90; 90;

COD ID: 2311098

Formula: - C6 H7 Cl N2 O3 -
Comments: Athmani, Hamza; Kijatkin, Christian; Benali-Cherif, Rim; Pillet, Sébastien; Schaniel, Dominik; Imlau, Mirco; Benali-Cherif, Nourredine; Bendeif, El-Eulmi Nonlinear optical organic‒inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-(o-chloroanilinium nitrate) Acta Crystallographica Section A 75(1) (2019) 107-114
Space group: P n a 21
Cell volume: 2484.56
Cell parameters: 16.8015; 6.5945; 22.4243; 90; 90; 90;

COD ID: 2311099

Formula: - C33.94 Al0 Na58.75 O481.8 Si192 -
Comments: Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment Acta Crystallographica Section A Foundations and Advances 75(2) (2019)
Space group: F d -3 m :2
Cell volume: 15529.9
Cell parameters: 24.94919; 24.94919; 24.94919; 90; 90; 90;

COD ID: 2311100

Formula: - C0.34 Al0 Na0.36 O2.57 Si -
Comments: Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment Acta Crystallographica Section A Foundations and Advances 75(2) (2019)
Space group: F d -3 m :2
Cell volume: 15365.1
Cell parameters: 24.86059; 24.86059; 24.86059; 90; 90; 90;

COD ID: 2311101

Formula: - C3 H7 N O2 -
Comments: Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø. A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline L-alanine Acta Crystallographica Section A 76(1) (2020) 32-44
Space group: P 21 21 21
Cell volume: 423.07
Cell parameters: 5.9534; 12.2772; 5.7882; 90; 90; 90;

COD ID: 2311102

COD ID: 2311103

COD ID: 2311104

COD ID: 2311105

COD ID: 2311106

COD ID: 2312005

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2724.02
Cell parameters: 26.7972; 7.1617; 14.194; 90; 90; 90;

COD ID: 2312006

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 2312007

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 2312008

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 2312009

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 2312010

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e (a-1/4,b-1/4,c)
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 2312011

Formula: - C23 H25 N11 O16 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C 1 2/c 1
Cell volume: 5868.16
Cell parameters: 33.5759; 7.6607; 25.1114; 90; 114.698; 90;

COD ID: 2312012

Formula: - C23 H25 N11 O16 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C 1 2/c 1
Cell volume: 5879.28
Cell parameters: 33.5939; 7.6658; 25.1324; 90; 114.716; 90;

COD ID: 2312014

Formula: - C23 H25 N11 O16 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C 1 2/c 1
Cell volume: 5879.28
Cell parameters: 33.5939; 7.6658; 25.1324; 90; 114.716; 90;

COD ID: 2312015

Formula: - C23 H25 N11 O16 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C 1 2/c 1
Cell volume: 5879.28
Cell parameters: 33.5939; 7.6658; 25.1324; 90; 114.716; 90;

COD ID: 2312030
CIF file	Formula: - Ca3 Mn2 O7 - Comments: Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A 77(3) (2021) 196-207 Space group: C m c 21 Cell volume: 534.529 Cell parameters: 19.46; 5.243; 5.239; 90; 90; 90;

COD ID: 2312031
CIF file	Formula: - Ca3 Mn2 O7 - Comments: Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A 77(3) (2021) 196-207 Space group: C m c 21 Cell volume: 536.187 Cell parameters: 19.435; 5.258; 5.247; 90; 90; 90;

COD ID: 2312032
CIF file	Formula: - Ca3 Mn2 O7 - Comments: Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A 77(3) (2021) 196-207 Space group: C m c 21 Cell volume: 539.18 Cell parameters: 19.425; 5.278; 5.259; 90; 90; 90;

COD ID: 2312033
CIF file	Formula: - Ca3 Mn2 O7 - Comments: Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A 77(3) (2021) 196-207 Space group: C m c 21 Cell volume: 543.494 Cell parameters: 19.44; 5.3; 5.275; 90; 90; 90;

COD ID: 2312034
CIF file	Formula: - Ca3 Mn2 O7 - Comments: Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A 77(3) (2021) 196-207 Space group: C m c 21 Cell volume: 548.033 Cell parameters: 19.455; 5.325; 5.29; 90; 90; 90;

COD ID: 2312286

Formula: - C13 H18 O2 -
Comments: Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances 79(5) (2023) 427-439
Space group: P 1 21 1
Cell volume: 1242.9
Cell parameters: 12.368; 8.021; 13.536; 90; 112.24; 90;

COD ID: 2312287

COD ID: 2312288

COD ID: 2312289

COD ID: 2312290

COD ID: 2312291

Formula: - C3 H7 N O2 -
Comments: Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances 79(5) (2023) 427-439
Space group: P 21 21 21
Cell volume: 420.85
Cell parameters: 5.7733; 5.9524; 12.2465; 90; 90; 90;

COD ID: 2312292

COD ID: 2312293

COD ID: 2312294

COD ID: 2312295

COD ID: 2312296

Formula: - Al2 H4 Na2 O12 Si3 -
Comments: Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances 79(5) (2023) 427-439
Space group: F d d 2
Cell volume: 2260.5
Cell parameters: 18.2872; 18.666; 6.6222; 90; 90; 90;

COD ID: 2312297

COD ID: 2312298

COD ID: 2312299

COD ID: 2312300

COD ID: 5910138
CIF file	Formula: - Ba2 Fe2 O5 - Comments: Zou, X. D.; Hovmoller, S.; Parras, M.; Gonzalez-Calbet, J. M.; Vallet-Regi, M.; Grenier, J. C. The complex perovskite-related superstructure Ba~2~Fe~2~O~5~ solved by HREM and CIP Acta Crystallographica Section A 49(1) (1993) 27-35 Space group: P 1 21/c 1 Cell volume: 1892.19 Cell parameters: 6.969; 11.724; 23.431; 90; 98.74; 90;

COD ID: 6000234

Formula: - Ba3 Er Ga2 O7.5 -
Comments: Abakumov, A. M.; Shpanchenko, R. V.; Lebedev, O. I.; Van, Tendeloo G; Amelinckx, S.; Antipov, E. V. The phase transitions and crystal structures of Ba3RM2O7.5 complex oxides (R = rare-earth elements, m = Al, Ga) Acta Crystallographica Section A 55(5) (1999) 828-839
Space group: P 1 2/c 1
Cell volume: 872.62
Cell parameters: 7.9362; 5.9639; 18.4416; 90; 91.325; 90;

COD ID: 9007493
CIF file	Formula: - Cl N - Comments: Sirdeshmukh D B; Deshpande V T X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 31.5 C Acta Crystallographica, Section A 26(2) (1970) 295-295 Space group: P m -3 m Cell volume: 58.28 Cell parameters: 3.8771; 3.8771; 3.8771; 90; 90; 90;

COD ID: 9007494
CIF file	Formula: - Cl N - Comments: Sirdeshmukh D B; Deshpande V T X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 54.0 C Acta Crystallographica, Section A 26(2) (1970) 295-295 Space group: P m -3 m Cell volume: 58.51 Cell parameters: 3.8822; 3.8822; 3.8822; 90; 90; 90;

COD ID: 9007495
CIF file	Formula: - Mn Nb O6 Ta - Comments: Klein, S.; Weitzel, H. Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure Acta Crystallographica, Section A 32(4) (1976) 587-591 Space group: P b c n Cell volume: 423.46 Cell parameters: 14.418; 5.76; 5.099; 90; 90; 90;

COD ID: 9007496
CIF file	Formula: - Al2 O3 - Comments: Lewis, J.; Schwarzenbach, D.; Flack, H. D. Electric field gradients and charge density in corundum alpha-Al2O3 Acta Crystallographica, Section A 38 (1982) 733-739 Space group: R -3 c :H Cell volume: 254.977 Cell parameters: 4.7602; 4.7602; 12.9933; 90; 90; 120;

COD ID: 9007497

Formula: - Cu2 O -
Comments: Kirfel, A.; Eichhorn, K. Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Note: Atomic parameters were mislabeled in the publication. They have been fixed in this dataset. Acta Crystallographica, Section A 46(4) (1990) 271-284
Space group: P n -3 m :1
Cell volume: 77.772
Cell parameters: 4.2685; 4.2685; 4.2685; 90; 90; 90;

COD ID: 9007498
CIF file	Formula: - Al2 O3 - Comments: Kirfel, A.; Eichhorn, K. Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Acta Crystallographica, Section A 46(4) (1990) 271-284 Space group: R -3 c :H Cell volume: 254.524 Cell parameters: 4.757; 4.757; 12.9877; 90; 90; 120;

COD ID: 9007499