data_1007080 _chemical_name_systematic 'Potassium magnesium catena-phosphate' _chemical_formula_structural 'K Mg P3 O9' _chemical_formula_sum 'K Mg O9 P3' _publ_section_title ; Trimetaphosphates mixtes N H~4~ M(II) P~3~ O~9~ isomorphes de la benitoite ; loop_ _publ_author_name 'Masse, R' 'Grenier, J C' 'Durif, A' _journal_name_full ; Bulletin de la Societe Chimique de France (Vol=Year) ; _journal_coden_ASTM BSCFAS _journal_volume 1968 _journal_year 1968 _journal_page_first 1741 _journal_page_last 1742 _cell_length_a 6.605 _cell_length_b 6.605 _cell_length_c 9.772 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 369.2 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P -6 c 2' _symmetry_Int_Tables_number 188 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' 'x,y,1/2-z' '-y,x-y,1/2-z' 'y-x,-x,1/2-z' '-y,-x,1/2+z' 'y-x,y,1/2+z' 'x,x-y,1/2+z' '-y,-x,-z' 'y-x,y,-z' 'x,x-y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number K1+ 1.000 Mg2+ 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 K1 K1+ 2 e 0.6667 0.3333 0. 1. 0 d Mg1 Mg2+ 2 c 0.3333 0.6667 0. 1. 0 d P1 P5+ 6 k 0.223 -0.057 0.25 1. 0 d O1 O2- 6 k 0.258 0.192 0.25 1. 0 d O2 O2- 12 l 0.323 -0.08 0.125 1. 0 d _refine_ls_R_factor_all 0.09