#------------------------------------------------------------------------------ #$Date: 2016-01-03 11:41:31 +0200 (Sun, 03 Jan 2016) $ #$Revision: 172545 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/12/1541256.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_1541256 loop_ _publ_author_name 'Morosov, I.' 'Troyanov, S.I.' 'Stiewe, A.' 'Kemnitz, E.' _publ_section_title ; Synthese und Kristallstruktur von Hydrogenselenaten zweiwertiger Metalle - M (H Se O4)2 (M= Mg, Mn, Zn) und M (H Se O4)2 . (H2 O) (M= Mn, Cd) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 135 _journal_page_last 140 _journal_volume 624 _journal_year 1998 _chemical_formula_sum 'H2 Mg O8 Se2' _chemical_name_systematic 'Mg (H Se O4)2' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 98.69 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.081 _cell_length_b 8.624 _cell_length_c 7.336 _cell_volume 317.763 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Morosov_ZAACAB_1998_1820.cif _cod_data_source_block H2Mg1O8Se2 _cod_cif_authors_sg_Hall '-P 2ybc (x-z,y,z)' _cod_original_cell_volume 317.7626 _cod_chemical_formula_sum_orig 'H2 Mg1 O8 Se2' _cod_database_code 1541256 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-z x-1/2,-y-1/2,z-1/2 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 H1 H+1 0.28 0.503 0.88 1 0.0 Mg1 Mg+2 0 0 0 1 0.0 O1 O-2 0.1974 0.3526 0.5454 1 0.0 O3 O-2 0.0868 0.1384 0.7818 1 0.0 O2 O-2 -0.2548 0.37299 0.6957 1 0.0 O4 O-2 0.2161 0.4135 0.9087 1 0.0 Se1 Se+6 0.05137 0.31885 0.72189 1 0.0