#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/48/1534859.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_1534859 loop_ _publ_author_name 'Maass, K.' 'Glaum, R.' 'Gruehn, R.' _publ_section_title ; Beitraege zum thermischen Verhalten und zur Kristallchemie von Wasserfreien Phosphaten XXXII. Neue Orthophosphate des zweiwertigen Chroms - Mg3 Cr3 (P O4)4, Mg3.75 Cr2.25 (P O4)4, Ca3 Cr3 (P O4)4 und Ca2.00 Cr4.00 (P O4)4 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1663 _journal_page_last 1672 _journal_volume 628 _journal_year 2002 _chemical_formula_sum 'Cr3 Mg3 O16 P4' _chemical_name_systematic '(Mg3 Cr3) (P O4)4' _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 91.13 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 4.863 _cell_length_b 9.507 _cell_length_c 6.439 _cell_volume 297.633 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Maass_ZAACAB_2002_566.cif _cod_data_source_block Cr3Mg3O16P4 _cod_original_cell_volume 297.6334 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_database_code 1534859 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 O2 O-2 0.3489 -0.11622 -0.0419 1 0.0 O1 O-2 0.1893 0.17724 -0.1185 1 0.0 O3 O-2 0.5654 0.08417 -0.3395 1 0.0 O4 O-2 0.102 0.1711 0.3174 1 0.0 Cr1 Cr+2 0.03053 0.37501 -0.1507 0.306 0.0 Mg1 Mg+2 0.03053 0.37501 -0.1507 0.694 0.0 Mg2 Mg+2 0 0 0 0.094 0.0 Cr2 Cr+2 0 0 0 0.906 0.0 P1 P+5 0.50375 0.17939 -0.15195 1 0.0