data_global _amcsd_formula_title 'Hg3(PO4)2' loop_ _publ_author_name 'Arivillius K' 'Nilsson B A' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 141 _journal_year 1975 _journal_page_first 1 _journal_page_last 10 _publ_section_title ; The crystal structure of mercury(II)phosphate, Hg3(PO4)2 ; _database_code_amcsd 0010768 _chemical_formula_sum 'Hg3 P2 O8' _cell_length_a 9.737 _cell_length_b 11.466 _cell_length_c 6.406 _cell_angle_alpha 90 _cell_angle_beta 99.51 _cell_angle_gamma 90 _cell_volume 705.365 _exptl_crystal_density_diffrn 7.455 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-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 Hg1 0.04137 0.62072 0.67502 Hg2 0.69987 0.39641 0.82674 Hg3 0.65409 0.67005 0.41226 P1 0.61090 0.40100 0.30510 P2 0.89720 0.86660 0.59870 O11 0.55100 0.52500 0.24900 O12 0.71600 0.40700 0.51100 O13 0.69800 0.35600 0.13900 O14 0.49200 0.31600 0.31700 O21 0.03400 0.79800 0.58300 O22 0.78300 0.77800 0.63200 O23 0.91600 0.94000 0.80400 O24 0.86000 0.94100 0.39900 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 Hg1 0.01289 0.00733 0.01484 0.00128 0.00092 0.00121 Hg2 0.01346 0.01878 0.00926 0.00162 0.00151 -0.00081 Hg3 0.01593 0.01519 0.01606 0.00636 0.00526 0.00444 P1 0.00888 0.00799 0.00768 -0.00223 0.00154 -0.00073 P2 0.00654 0.00400 0.00971 0.00000 0.00061 -0.00037 O11 0.01402 0.01998 0.02629 0.00000 -0.00307 0.00367 O12 0.00467 0.02664 0.01213 0.00000 0.00307 0.00367 O13 0.01402 0.01998 0.01011 0.00000 0.00615 0.00000 O14 0.01402 0.03330 0.01618 -0.01116 0.01229 -0.00367 O21 0.00934 0.00666 0.02427 0.00558 0.00307 0.00000 O22 0.00467 0.01998 0.01618 -0.00558 0.00307 -0.00367 O23 0.00934 0.01332 0.01618 0.00000 0.00615 -0.00367 O24 0.00467 0.01332 0.01618 0.00000 -0.00307 0.00000