#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539717.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_1539717 loop_ _publ_author_name 'Dascoulidou, A.' 'Bronger, W.' 'Mueller, P.' _publ_section_title ; Ternaere Mangan-Verbindungen A Mn X (A= Mg, Ca, Sr, oder Ba; X= Si, Ge oder Sn): Neutronenbeugungsuntersuchungen zur Charakterisierung der magnetischen Eigenschaften ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 124 _journal_page_last 128 _journal_volume 624 _journal_year 1998 _chemical_formula_sum 'Ca Mn Sn' _chemical_name_systematic 'Ca Mn Sn' _space_group_IT_number 129 _symmetry_space_group_name_Hall 'P 4ab 2ab -1ab' _symmetry_space_group_name_H-M 'P 4/n m m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.484 _cell_length_b 4.484 _cell_length_c 7.507 _cell_volume 150.938 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Dascoulidou_ZAACAB_1998_1814.cif _cod_data_source_block Ca1Mn1Sn1 _cod_original_cell_volume 150.9377 _cod_original_sg_symbol_Hall '-P 4a 2a (x-1/4,y+1/4,z)' _cod_chemical_formula_sum_orig 'Ca1 Mn1 Sn1' _cod_database_code 1539717 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z -x,-y,z y+1/2,-x+1/2,z x+1/2,-y+1/2,-z y,x,-z -x+1/2,y+1/2,-z -y,-x,-z -x+1/2,-y+1/2,-z y,-x,-z x+1/2,y+1/2,-z -y,x,-z -x,y,z -y+1/2,-x+1/2,z x,-y,z y+1/2,x+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 Mn1 Mn 0 0 0 1 0.0 Sn1 Sn 0 0.5 0.737 1 0.0 Ca1 Ca 0 0.5 0.168 1 0.0