#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/07/1540764.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1540764 loop_ _publ_author_name 'Zheng, H.' 'Bailey, S.W.' _publ_section_title ; Structures of intergrowth triclinic and monoclinic IIb chlorites from Kenya ; _journal_name_full 'Clays and Clay Minerals (29,1981-)' _journal_page_first 308 _journal_page_last 316 _journal_volume 37 _journal_year 1989 _chemical_formula_sum 'Al1.638 Cr0.128 Fe0.378 H8 Mg4.715 Ni0.011 O18 Si3.056' _chemical_name_systematic ; (Mg4.715 Al.694 Fe.269 Fe.109 Cr.128 Ni.011) (Si3.056 Al.944) O10 (O H)8 ; _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 96.82 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.328 _cell_length_b 9.228 _cell_length_c 14.363 _cell_volume 701.186 _citation_journal_id_ASTM CLCMAB _cod_data_source_file Zheng_CLCMAB_1989_805.cif _cod_data_source_block H8Al1.638Cr0.128Fe0.378Mg4.715Ni0.011O18Si3.056 _cod_original_cell_volume 701.1856 _cod_original_formula_sum 'H8 Al1.638 Cr0.128 Fe0.378 Mg4.715 Ni0.011 O18 Si3.056' _cod_database_code 1540764 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Cr1 Cr+3 0 0 0 0.043 0.0 O6 O-2 0.5074 0.2325 0.2333 1 0.0 Fe2 Fe+3 0 0.3327 0 0.052 0.0 H1 H+1 0.261 0.5 0.128 1 0.0 Cr2 Cr+3 0 0.3327 0 0.043 0.0 Al2 Al+3 0 0.5 0.5 0.494 0.0 O1 O-2 0.1889 0.5 0.074 1 0.0 Ni1 Ni+2 0 0.5 0.5 0.011 0.0 Al1 Al+3 0 0.1665 0.5 0.1 0.0 O3 O-2 0.1394 0.339 0.4297 1 0.0 Mg3 Mg+2 0 0.1665 0.5 0.9 0.0 H3 H+1 0.171 0.276 0.401 1 0.0 O5 O-2 0.2064 0 0.2331 1 0.0 Mg1 Mg+2 0 0 0 0.905 0.0 Fe1 Fe+3 0 0 0 0.052 0.0 Fe3 Fe+3 0 0.5 0.5 0.113 0.0 H2 H+1 0.141 0 0.368 1 0.0 O2 O-2 0.1542 0 0.4299 1 0.0 O4 O-2 0.191 0.1669 0.077 1 0.0 Mg4 Mg+2 0 0.5 0.5 0.2 0.0 Al3 Al+3 0.2279 0.1667 0.1918 0.236 0.0 Mg2 Mg+2 0 0.3327 0 0.905 0.0 Fe4 Fe+2 0 0.5 0.5 0.109 0.0 Si1 Si+4 0.2279 0.1667 0.1918 0.764 0.0