#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/04/1010484.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_1010484 _chemical_name_systematic 'Magnesium hydroxide' _chemical_formula_structural 'Mg (O H)2' _chemical_formula_sum 'H2 Mg O2' _publ_section_title 'Ueber die Struktur des Magnesiumhydroxides.' loop_ _publ_author_name 'Aminoff, G' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 56 _journal_year 1921 _journal_page_first 505 _journal_page_last 509 _cell_length_a 3.13 _cell_length_b 3.13 _cell_length_c 4.75 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 40.3 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P -3 m 1' _symmetry_Int_Tables_number 164 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'x,x-y,z' 'y-x,y,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' 'y,x,-z' '-x,y-x,-z' 'x-y,-y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number Mg2+ 2.000 O2- -2.000 H1+ 1.000 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 Mg1 Mg2+ 1 a 0. 0. 0. 1. 0 d O1 O2- 2 d 0.6667 0.3333 0.2222 1. 1 d H1 H1+ 2 d -1. -1. -1. 1. 0 dum _cod_database_code 1010484