#------------------------------------------------------------------------------ #$Date: 2018-01-12 15:53:12 +0000 (Fri, 12 Jan 2018) $ #$Revision: 205126 $ #$URL: svn://www.crystallography.net/cod/cif/1/01/02/1010267.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_1010267 loop_ _publ_author_name 'Lotmar, W.' 'Feitknecht, W.' _publ_section_title ; \"Uber \"Anderungen der Ionenabst\"ande in Hydroxyd-Schichtengittern ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 368 _journal_page_last 378 _journal_paper_doi 10.1524/zkri.1936.93.1.368 _journal_volume 93 _journal_year 1936 _chemical_formula_structural 'Co (O H)2' _chemical_formula_sum 'Co H2 O2' _chemical_name_systematic 'Cobalt hydroxide' _space_group_crystal_system trigonal _space_group_IT_number 164 _space_group_name_Hall '-P 3 2"' _space_group_name_H-M_alt 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 3.173(2) _cell_length_b 3.173(2) _cell_length_c 4.640(4) _cell_volume 40.5 _cod_original_formula_sum 'H2 Co O2' _cod_database_code 1010267 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -y,x-y,z 3 y-x,-x,z 4 -y,-x,z 5 x,x-y,z 6 y-x,y,z 7 -x,-y,-z 8 y,y-x,-z 9 x-y,x,-z 10 y,x,-z 11 -x,y-x,-z 12 x-y,-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Co1 Co2+ 1 a 0. 0. 0. 1. 0 d O1 O2- 2 d 0.3333 0.6667 0.22 1. 1 d loop_ _atom_type_symbol _atom_type_oxidation_number Co2+ 2.000 O2- -2.000