Crystallography Open Database

Result : There are 16 entries in the selection

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Searching journal of publication like 'The Journal of Chemical Physics'

COD ID: 1011063
CIF file Formula: - H2 O -
Comments: McFarlan, Ronald L. The Structure of Ice II The Journal of Chemical Physics 4(1) (1936) 60-64
Space group: C 2 2 21
Cell volume: 195.2
Cell parameters: 7.8; 4.5; 5.56; 90; 90; 90;  

COD ID: 1566636
CIF file Formula: - D2 O -
Comments: Lobban, C.; Finney, J. L.; Kuhs, W. F. The p-T dependency of the ice II crystal structure and the effect of helium inclusion The Journal of Chemical Physics 117 (2002) 3928
Space group: R -3 :H
Cell volume: 898.99
Cell parameters: 12.91771; 12.91771; 6.22087; 90; 90; 120;  

COD ID: 1566637
CIF file Formula: - D2 O -
Comments: Kamb, B.; Hamilton, W.C.; LaPlaca, S.J.; Prakash, A. Ordered Proton Configuration in Ice II, from Single - Crystal Neutron Diffraction The Journal of Chemical Physics 55 (1971) 1934
Space group: R -3 :R
Cell volume: 304
Cell parameters: 7.78; 7.78; 7.78; 113.1; 113.1; 113.1;  

COD ID: 1566638
CIF file Formula: - D2 O -
Comments: Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure and ordering of ices III and V The Journal of Chemical Physics 112 (2000) 7169
Space group: P 41 21 2
Cell volume: 309.98
Cell parameters: 6.676; 6.676; 6.955; 90; 90; 90;  

COD ID: 1566639
CIF file Formula: - D2 O -
Comments: Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure and ordering of ices III and V The Journal of Chemical Physics 112 (2000) 7169
Space group: A 1 2/a 1
Cell volume: 664.24
Cell parameters: 9.0926; 7.5409; 10.2547; 90; 109.144; 90;  

COD ID: 1566644
CIF file Formula: - D2 O -
Comments: La Placa, S. J.; Hamilton, W. C.; Kamb, B.; Prakash, A. On a nearly proton-ordered structure for ice IX The Journal of Chemical Physics 58 (1973) 567
Space group: P 41 21 2
Cell volume: 309.4
Cell parameters: 6.73; 6.73; 6.83; 90; 90; 90;  

COD ID: 1566645
CIF file Formula: - D2 O -
Comments: Leadbetter, A. J.; Ward, R. C.; Clark, J. W.; Tucker, P. A.; Matsuo, T.; Suga, H. The equilibrium low-temperature structure of ice The Journal of Chemical Physics 82 (1985) 424
Space group: C m c 21
Cell volume: 257.25
Cell parameters: 4.5019; 7.7978; 7.328; 90; 90; 90;  

COD ID: 1566649
CIF file Formula: - D2 O -
Comments: Salzmann, C. G.; Slater, B.; Radaelli, P. G.; Finney, J. L.; Shephard, J. J.; Rosillo-Lopez, M.; Hindley, J. Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition The Journal of Chemical Physics 145 (2016) 204501
Space group: P -1
Cell volume: 226.103
Cell parameters: 6.23416; 6.21697; 5.83377; 90.033; 89.922; 89.999;  

COD ID: 1566657
CIF file Formula: - D2 O -
Comments: Londono, J. D.; Kuhs, W. F.; Finney, J. L. Neutron diffraction studies of ices III and IX on under-pressure and recovered samples The Journal of Chemical Physics 98 (1993) 4878
Space group: P 41 21 2
Cell volume: 300.771
Cell parameters: 6.6925; 6.6925; 6.7152; 90; 90; 90;  

COD ID: 1566658
CIF file Formula: - D2 O -
Comments: Jorgensen, J. D.; Beyerlein, R. A.; Watanabe, N.; Worlton, T. G. Structure of D2O ice VIII from in situ powder neutron diffraction The Journal of Chemical Physics 81 (1984) 3211
Space group: I 41/a m d :2
Cell volume: 148.87
Cell parameters: 4.6779; 4.6779; 6.8029; 90; 90; 90;  

COD ID: 1566659
CIF file Formula: - D2 O -
Comments: Kuhs, W.F.; Finney, J.L.; Vettier, C.; Bliss, D.V. Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction The Journal of Chemical Physics 81 (1984) 3612
Space group: P 42/n m c :2
Cell volume: 217.7
Cell parameters: 6.1812; 6.1812; 5.698; 90; 90; 90;  

COD ID: 1567272
CIF file Formula: - D2 O -
Comments: Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L. Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition The Journal of Chemical Physics 154 (2021) 134504
Space group: A 1 2/a 1
Cell volume: 672.728
Cell parameters: 9.19256; 7.52147; 10.31017; 90; 109.317; 90;  

COD ID: 1567273
CIF file Formula: - D2 O -
Comments: Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L. Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition The Journal of Chemical Physics 154 (2021) 134504
Space group: P 1 21/a 1
Cell volume: 667.839
Cell parameters: 9.24033; 7.46235; 10.29166; 90; 109.768; 90;  

COD ID: 3000289
CIF file Formula: - Ge1.96 Na0.99 O12 P3 -
Comments: Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S. Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3 The Journal of Chemical Physics 155(7) (2021) 074501
Space group: R -3 :H
Cell volume: 1224.48
Cell parameters: 8.103; 8.103; 21.5343; 90; 90; 120;  

COD ID: 3000290
CIF file Formula: - Al0.43 Ge1.57 Na1.413 O12 P3 -
Comments: Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S. Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3 The Journal of Chemical Physics 155(7) (2021) 074501
Space group: R -3 :H
Cell volume: 1256.13
Cell parameters: 8.2218; 8.2218; 21.457; 90; 90; 120;  

COD ID: 3000291
CIF file Formula: - Al0.804 Ge1.196 Na1.72 O12 P3 -
Comments: Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S. Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3 The Journal of Chemical Physics 155(7) (2021) 074501
Space group: R -3 c :H
Cell volume: 1275.32
Cell parameters: 8.2927; 8.2927; 21.4139; 90; 90; 120;  


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