#------------------------------------------------------------------------------ #$Date: 2015-09-12 18:32:51 +0300 (Sat, 12 Sep 2015) $ #$Revision: 156081 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/08/1530861.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_1530861 loop_ _publ_author_name 'Tamada, O.' 'Yamamoto, N.' 'Oka, Y.' _publ_section_title ; Hydrothermal Synthesis and Structure Determination of a New Manganese (III) Oxide, Ba Mn2 O3 (O H)2 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 401 _journal_page_last 408 _journal_volume 74 _journal_year 1988 _chemical_formula_sum 'Ba H2 Mn2 O5' _chemical_name_systematic 'Ba Mn2 O3 (O H)2' _space_group_IT_number 38 _symmetry_space_group_name_Hall 'C -2 -2' _symmetry_space_group_name_H-M 'C m 2 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 11.585 _cell_length_b 4.12 _cell_length_c 4.39 _cell_volume 209.536 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Tamada_JSSCBI_1988_1621.cif _cod_data_source_block H2Ba1Mn2O5 _cod_cif_authors_sg_Hall 'A 2 -2 (y,z,x)' _cod_original_cell_volume 209.5356 _cod_chemical_formula_sum_orig 'H2 Ba1 Mn2 O5' _cod_database_code 1530861 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 O2 O-2 0.1738 -0.021 0.5 1 0.0 O3 O-2 0.3354 -0.001 0 1 0.0 Mn1 Mn+3 0.33887 -0.008 0.5 1 0.0 Ba1 Ba+2 0 0 0 1 0.0 O1 O-2 0.5 0 0.5 1 0.0