#------------------------------------------------------------------------------ #$Date: 2015-09-06 16:03:21 +0300 (Sun, 06 Sep 2015) $ #$Revision: 154830 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529918.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_1529918 loop_ _publ_author_name 'Fabry, J.' 'Hybler, J.' 'Jirak, Z.' 'Maly, K.' 'Jurek, K.' 'Petricek, V.' 'Nevriva, M.' _publ_section_title ; Preparation and the crystal structure of a new manganate, Sr4 Mn3 O10 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 520 _journal_page_last 523 _journal_volume 73 _journal_year 1988 _chemical_formula_sum 'Mn2.964 O10 Pt0.036 Sr4' _chemical_name_systematic 'Sr4 Mn2 (Mn0.964 Pt.036) O10' _space_group_IT_number 64 _symmetry_space_group_name_Hall '-C 2ac 2' _symmetry_space_group_name_H-M 'C m c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.443 _cell_length_b 12.427 _cell_length_c 12.5 _cell_volume 845.502 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Fabry_JSSCBI_1988_1608.cif _cod_data_source_block Mn2.964O10Pt0.036Sr4 _cod_database_code 1529918 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x,-y,-z -x+1/2,y,-z+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x,y,z x-1/2,-y,z-1/2 x+1/2,y+1/2,z -x+1,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x,y+1/2,-z-1/2 -x+1/2,y+1/2,z x,-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 Mn2 Mn+4 0 0.13129 0.152 1 0.0 O2 O-2 0 0.2751 0.1492 1 0.0 Sr2 Sr+2 0 0.26149 0.38923 1 0.0 O1 O-2 0 0.037 -0.1466 1 0.0 O3 O-2 0.2312 0.1084 0.0367 1 0.0 O4 O-2 0.25 0.12 0.25 1 0.0 Sr1 Sr+2 0 0.4692 0.14209 1 0.0 Mn1 Mn+4 0 0 0 0.964 0.0 Pt1 Pt+4 0 0 0 0.036 0.0