#------------------------------------------------------------------------------ #$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $ #$Revision: 291351 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/58/9005833.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9005833 loop_ _publ_author_name 'Kudoh, Y.' 'Takeda, H.' 'Arashi, H.' _publ_section_title ; In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 15 kbar ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 233 _journal_page_last 237 _journal_paper_doi 10.1007/BF00308274 _journal_volume 13 _journal_year 1986 _chemical_formula_sum 'O2 Zr' _chemical_name_mineral Baddeleyite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 99.01 _cell_angle_gamma 90 _cell_length_a 5.120 _cell_length_b 5.216 _cell_length_c 5.281 _cell_formula_units_Z 4 _cell_volume 139.294 _database_code_amcsd 0007415 _diffrn_ambient_pressure 1.5e+06 _exptl_crystal_density_diffrn 5.876 _cod_original_formula_sum 'Zr O2' _cod_database_code 9005833 loop_ _space_group_symop_operation_xyz x,y,z x,1/2-y,1/2+z -x,1/2+y,1/2-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Zr 0.27540 0.03950 0.20860 0.01482 O1 0.07100 0.33960 0.33800 0.00988 O2 0.45510 0.76070 0.48550 0.01292 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 ChemSpider 4955305 2 AMCSD 0007415