data_global _amcsd_formula_title 'Co O7 P2 Sr' loop_ _publ_author_name 'Riou D' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 47 _journal_year 1991 _journal_page_first 1708 _journal_page_last 1709 _publ_section_title ; Structure of SrCoP2O7 _cod_database_code 1001466 ; _database_code_amcsd 0010263 _chemical_formula_sum 'Sr Co P2 O7' _cell_length_a 5.3165 _cell_length_b 8.2574 _cell_length_c 12.6755 _cell_angle_alpha 90 _cell_angle_beta 90.133 _cell_angle_gamma 90 _cell_volume 556.459 _exptl_crystal_density_diffrn 3.826 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sr1 0.28510 0.33920 0.27851 Co1 0.81900 0.14790 0.10681 P1 0.74840 0.53540 0.16520 P2 0.31380 0.19970 0.98100 O1 0.67700 0.35970 0.15230 O2 0.66800 0.40180 0.40070 O3 0.94900 0.11880 0.26630 O4 0.76700 0.11330 0.45090 O5 0.48900 0.06150 0.29270 O6 0.09300 0.33380 0.47280 O7 0.20300 0.18380 0.09090 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sr1 0.00600 0.00850 0.00720 0.00020 0.00010 0.00120 Co1 0.00840 0.00650 0.00620 -0.00010 -0.00100 -0.00060 P1 0.00500 0.00540 0.00480 0.00030 0.00040 0.00080 P2 0.00570 0.00540 0.00250 -0.00050 0.00150 0.00000 O1 0.01400 0.00400 0.01200 -0.00100 0.00200 0.00000 O2 0.00700 0.01300 0.00700 0.00000 -0.00300 0.00100 O3 0.00700 0.00600 0.00300 -0.00300 0.00100 0.00100 O4 0.01100 0.01000 0.00700 -0.00500 -0.00100 -0.00600 O5 0.00900 0.00700 0.01600 -0.00100 -0.00500 0.00200 O6 0.00100 0.01300 0.01000 -0.00200 0.00100 0.00200 O7 0.00700 0.01900 0.00300 -0.00400 0.00200 -0.00100