data_global _amcsd_formula_title 'Cl Co H4 O3 P' loop_ _publ_author_name 'Marcos M' 'Ibanez R' 'Amoros P' 'Le Bail A' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 47 _journal_year 1991 _journal_page_first 1152 _journal_page_last 1155 _publ_section_title ; Layer structure of (CoCl(H2PO2))*H2O _cod_database_code 1008495 ; _database_code_amcsd 0016388 _chemical_formula_sum 'Co P Cl O3 H4' _cell_length_a 7.416 _cell_length_b 13.082 _cell_length_c 9.483 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 920.004 _exptl_crystal_density_diffrn 2.561 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Co1 0.11761 0.50057 0.14499 P1 0.22495 0.15392 0.38784 Cl1 0.87924 0.39750 0.26525 O1 0.08580 0.08710 0.46260 O2 0.69600 0.09430 0.45680 O3 0.37750 0.09650 0.31680 H1 0.28500 0.21100 0.47800 H2 0.13700 0.21200 0.30600 H3 0.57700 0.08900 0.43200 H4 0.69900 0.09800 0.55100 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 Co1 0.01270 0.01980 0.01300 -0.00110 -0.00100 0.00030 P1 0.01380 0.01580 0.01510 -0.00040 0.00050 0.00000 Cl1 0.01690 0.02050 0.01860 0.00090 0.00280 0.00020 O1 0.01330 0.02140 0.01520 0.00180 0.00030 -0.00160 O2 0.01810 0.03020 0.01920 -0.00230 -0.00200 0.00280 O3 0.01510 0.02600 0.01840 -0.00510 0.00240 -0.00050