_audit_creation_method 'generated by CrystalMaker 9.2.7'Ĭrystal structure data from: W.F. You can create the CIF file yourself: data_Ice_Ic From the paper “High-resolution neutron powder diffraction study of ice Ic”, Le Journal de Physique Colloques, 48.C1 (1987), C1-631: These were done from X-ray diffraction studies and only feature heavy atoms (oxygen) positions.Īlthough I could not find in any open database a CIF file for cubic ice with hydrogen positions, it is easy to make one. With downloadable structure files in CIF format: 1, 2. Manipulation of site information (label, symbol, occupancy, coordinates & moments) Standard structure file. You will then find several experimental structures for cubic ice: softwareSoftwareSreferencegroupscorescoreNscore1sco.GOLD SPECIFICATION STANDARDSPEC160SPEC40100717.5CRYSTALWALKCWGL160CW3897.5717.5CRYSTALMAKER 9.2.1CMAK156T2152. This program lets the manipulation of structure data given in various file formats and enables the conversion between these formats. Search for structures with two elements O and H, and named “ice”. One resource you can use is the Crystallography Open Database.
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