data_global _amcsd_formula_title 'Zr(PO3)4' loop_ _publ_author_name 'Locock A J' _journal_name_full 'Structural Chemistry of Inorganic Actinide Compounds' _journal_volume 6 _journal_year 2006 _journal_page_first 214 _journal_page_last 278 _publ_section_title ; Crystal chemistry of actinide phosphates and arsenates ; _database_code_amcsd 0015624 _chemical_formula_sum 'Zr P4 O12' _cell_length_a 13.50 _cell_length_b 28.80 _cell_length_c 8.66 _cell_angle_alpha 90 _cell_angle_beta 90.04 _cell_angle_gamma 90 _cell_volume 3367.007 _exptl_crystal_density_diffrn 3.212 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zr1 0.50000 -0.43090 0.75000 Zr2 -0.26860 -0.31800 0.24980 Zr3 0.00000 -0.43220 0.75000 P1 -0.14020 -0.48810 0.02610 P2 -0.10990 -0.24290 0.02670 P3 -0.42520 -0.40710 0.36920 P4 -0.17430 -0.34740 0.62850 P5 -0.35680 -0.49340 0.49020 P6 -0.33060 -0.34610 -0.13640 P7 -0.10670 -0.26060 0.50270 P8 -0.08290 -0.39860 0.13450 O1 -0.37550 -0.36770 0.29030 O2 -0.47460 -0.39890 0.51880 O3 -0.34940 -0.44930 0.38180 O4 -0.14290 -0.36140 0.20830 O5 -0.04200 -0.39260 -0.02190 O6 0.00000 -0.41570 0.25000 O7 -0.14620 -0.44560 0.14020 O8 -0.23140 -0.35280 0.48330 O9 -0.11600 -0.38800 0.68880 O10 -0.24070 -0.32850 -0.23530 O11 -0.10250 -0.30360 0.61900 O12 -0.39660 -0.30020 -0.14210 O13 -0.29800 -0.35580 0.02400 O14 -0.38450 -0.38200 -0.22480 O15 -0.12790 -0.21610 0.58220 O16 0.50000 -0.42940 0.25000 O17 -0.17360 -0.27230 0.37060 O18 -0.37760 -0.27570 0.13340 O19 0.50340 -0.23680 -0.05750 O20 -0.31820 -0.22100 -0.07890 O21 -0.24710 0.49240 0.05410 O22 -0.42310 -0.48220 0.62260 O23 -0.37780 -0.46360 -0.09350 O24 -0.12440 -0.47140 -0.13310 O25 -0.06970 -0.47580 0.58410