data_1007031 _chemical_name_systematic 'Cadmium catena-phosphate' _chemical_formula_structural 'Cd (P O3)2' _chemical_formula_sum 'Cd O6 P2' _publ_section_title ; Affinement de la structure cristalline du polyphosphate de cadmium. Cd (P O~3~)~2~ ; loop_ _publ_author_name 'Bagieu-Beucher, M' 'Guitel, J C' 'Tordjman, I' 'Durif, A' _journal_name_full ; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) ; _journal_coden_ASTM BUFCAE _journal_volume 97 _journal_year 1974 _journal_page_first 481 _journal_page_last 484 _cell_length_a 9.607(4) _cell_length_b 13.70(1) _cell_length_c 7.037(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 926.2 _cell_formula_units_Z 8 _symmetry_space_group_name_H-M 'P b c a' _symmetry_Int_Tables_number 61 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,-z' '-x,1/2+y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2+y,z' 'x,1/2-y,1/2+z' '1/2+x,y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Cd2+ 2.000 P5+ 5.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Cd1 Cd2+ 8 c -0.00814(2) 0.20572(1) 0.05347(2) 1. 0 d P1 P5+ 8 c 0.21043(6) 0.39362(4) 0.18484(8) 1. 0 d P2 P5+ 8 c 0.30213(6) 0.40348(4) 0.58120(8) 1. 0 d O1 O2- 8 c 0.2962(2) 0.3719(1) 0.0147(2) 1. 0 d O2 O2- 8 c 0.1003(2) 0.3221(1) 0.2439(2) 1. 0 d O3 O2- 8 c 0.4033(2) 0.3246(1) 0.6382(2) 1. 0 d O4 O2- 8 c 0.1532(2) 0.3670(1) 0.6351(2) 1. 0 d O5 O2- 8 c 0.3158(2) 0.4128(1) 0.3559(2) 1. 0 d O6 O2- 8 c 0.1332(2) 0.4963(1) 0.1557(2) 1. 0 d _refine_ls_R_factor_all 0.035