data_global _amcsd_formula_title 'Ni[UO2PO4]2(H2O)12' loop_ _publ_author_name 'Locock A J' 'Burns P C' 'Flynn M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 1699 _journal_page_last 1718 _publ_section_title ; Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: NiUP12 ; _database_code_amcsd 0005986 _chemical_formula_sum 'Ni U2 P2 O24 H24' _cell_length_a 6.9962 _cell_length_b 7.0012 _cell_length_c 11.171 _cell_angle_alpha 81.591 _cell_angle_beta 82.189 _cell_angle_gamma 88.721 _cell_volume 536.269 _exptl_crystal_density_diffrn 3.112 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ni 0.00000 0.50000 0.50000 0.02300 U -0.26460 0.73160 0.07290 0.01100 P 0.24930 0.75360 0.00190 0.01200 O1 0.05990 0.70390 0.08660 0.02000 O2 0.40870 0.76900 0.08270 0.02000 O3 -0.30560 0.68800 0.23590 0.02000 O4 0.23110 0.94530 -0.08180 0.01900 O5 0.29930 0.59390 -0.07890 0.02000 O6 -0.22460 0.77170 -0.08870 0.02800 OW7 0.13000 0.50520 0.32340 0.03600 OW8 -0.20680 0.31030 0.47080 0.03200 OW9 0.18960 0.28010 0.54380 0.03400 OW10 0.47280 0.29170 0.30460 0.03500 OW11 0.92450 0.06090 0.31130 0.03500 OW12 0.30750 0.93320 0.31850 0.04000 H1 0.13900 0.15500 0.57400 0.05000 H2 -0.27300 0.20500 0.51800 0.05000 H3 0.25600 0.45000 0.31700 0.05000 H4 0.26500 0.31100 0.60300 0.05000 H5 0.86800 0.07100 0.23700 0.05000 H6 -0.15000 0.24800 0.40400 0.05000 H7 0.56000 0.32800 0.23100 0.05000 H8 0.36000 0.88500 0.24600 0.05000 H9 0.04600 0.03700 0.26800 0.05000 H10 0.56000 0.28300 0.36400 0.05000 H11 0.37400 0.05300 0.29900 0.05000 H12 0.05100 0.54700 0.26100 0.05000