#------------------------------------------------------------------------------ #$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $ #$Revision: 85285 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008281.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_9008281 loop_ _publ_author_name 'Berthold, H. J.' 'Ludwig, W.' 'Wartchow, R.' _publ_section_title ; Verfeinrung der kristallstruktur des silberperchlorats AgClO4 ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 327 _journal_page_last 335 _journal_volume 149 _journal_year 1979 _chemical_formula_structural AgClO4 _chemical_formula_sum 'Ag Cl O4' _space_group_IT_number 121 _symmetry_space_group_name_Hall 'I -4 2' _symmetry_space_group_name_H-M 'I -4 2 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.976 _cell_length_b 4.976 _cell_length_c 6.746 _cell_volume 167.035 _exptl_crystal_density_diffrn 4.122 _cod_database_code 9008281 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2+y,1/2+z -y,-x,z 1/2-y,1/2-x,1/2+z y,-x,-z 1/2+y,1/2-x,1/2-z -x,y,-z 1/2-x,1/2+y,1/2-z -x,-y,z 1/2-x,1/2-y,1/2+z y,x,z 1/2+y,1/2+x,1/2+z -y,x,-z 1/2-y,1/2+x,1/2-z x,-y,-z 1/2+x,1/2-y,1/2-z loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag 0.03370 0.03370 0.02280 0.00000 0.00000 0.00000 Cl 0.02180 0.02180 0.01690 0.00000 0.00000 0.00000 O 0.04600 0.04600 0.03040 -0.00560 -0.00560 -0.02160 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ag 0.00000 0.00000 0.50000 Cl 0.00000 0.00000 0.00000 O 0.16530 0.16530 0.12590