#------------------------------------------------------------------------------ #$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176465 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015950.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_9015950 loop_ _publ_author_name 'Moreau, J. M.' 'Galez, P.' 'Peigneux, J. P.' 'Korzhik, M. V.' _publ_section_title ; Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Note: scheelite structure ; _journal_name_full 'Journal of Alloys and Compounds' _journal_page_first 46 _journal_page_last 48 _journal_paper_doi 10.1016/0925-8388(95)02175-2 _journal_volume 238 _journal_year 1996 _chemical_formula_sum 'O4 Pb W' _chemical_name_mineral Stolzite _space_group_IT_number 88 _symmetry_space_group_name_Hall '-I 4ad' _symmetry_space_group_name_H-M 'I 41/a :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.456 _cell_length_b 5.456 _cell_length_c 12.020 _cell_volume 357.811 _database_code_amcsd 0012777 _exptl_crystal_density_diffrn 8.447 _cod_original_sg_symbol_H-M 'I 41/a' _cod_original_formula_sum 'Pb W O4' _cod_database_code 9015950 loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2+y,1/2+z 3/4+y,1/4-x,1/4-z 1/4+y,3/4-x,3/4-z 3/4-y,1/4+x,1/4+z 1/4-y,3/4+x,3/4+z 1/2+x,y,1/2-z +x,1/2+y,-z 1/2-x,-y,1/2+z -x,1/2-y,+z 3/4-y,3/4+x,3/4-z 1/4-y,1/4+x,1/4-z 3/4+y,3/4-x,3/4+z 1/4+y,1/4-x,1/4+z -x,-y,-z 1/2-x,1/2-y,1/2-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb 0.00000 0.25000 0.62500 0.00253 W 0.00000 0.25000 0.12500 0.00253 O 0.23880 0.11410 0.04290 0.01267