data_global _amcsd_formula_title 'Sr[(UO2)(PO4)]2(H2O)11' loop_ _publ_author_name 'Locock A J' 'Burns P C' 'Flynn T M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 721 _journal_page_last 733 _publ_section_title ; Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet Sample: SrUP11 ; _database_code_amcsd 0006006 _chemical_formula_sum 'U2 P2 Sr.795 O23 H22' _cell_length_a 14.042 _cell_length_b 21.008 _cell_length_c 6.997 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2064.075 _exptl_crystal_density_diffrn 3.211 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv U 0.12490 0.54140 0.74830 1.00000 0.01200 P 0.12380 0.50030 0.24610 1.00000 0.01400 Sr 0.12470 0.75000 0.46870 0.79500 0.02000 O1 0.12390 0.45670 0.74730 1.00000 0.02700 O2 0.12200 0.62600 0.74280 1.00000 0.02200 O3 0.12510 0.54370 0.06980 1.00000 0.02800 O4 0.03630 0.45830 0.24340 1.00000 0.02700 O5 0.21090 0.45560 0.25330 1.00000 0.02200 O6 0.12050 0.54530 0.42140 1.00000 0.02200 Wat7 0.74460 0.25000 0.26710 1.00000 0.03900 Wat8 0.24050 0.65930 0.34500 1.00000 0.06500 Wat9 0.00870 0.65930 0.35350 1.00000 0.05900 Wat10 0.99820 0.25000 0.26300 1.00000 0.03900 Wat11 0.12450 0.75000 0.06600 1.00000 0.04000 Wat12 0.17720 0.34310 0.47870 1.00000 0.05100 Wat13 0.07200 0.34330 0.01890 1.00000 0.05200 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 U 0.01000 0.01700 0.00900 0.00100 0.00000 0.00000 P 0.01000 0.02100 0.01000 0.00300 -0.00100 -0.00100 Sr 0.01300 0.02600 0.02000 0.00000 0.00000 0.00000 O1 0.02700 0.02200 0.03100 0.01400 0.00000 0.00000 O2 0.01700 0.02100 0.02600 0.00200 -0.00100 0.00000 O3 0.03800 0.03600 0.00900 -0.00400 -0.00300 0.00500 O4 0.00800 0.03200 0.04000 -0.00400 0.00000 0.00100 O5 0.01400 0.02600 0.02600 -0.00300 0.00200 -0.00100 O6 0.02500 0.03400 0.00800 -0.00400 0.00100 -0.00200 Wat7 0.05200 0.02200 0.04400 0.00000 -0.00900 0.00000 Wat8 0.03600 0.02200 0.13600 0.00600 0.02200 -0.00500 Wat9 0.04700 0.04000 0.09000 -0.01000 -0.02300 0.00200 Wat10 0.04200 0.02900 0.04400 0.00000 0.02000 0.00000 Wat11 0.02400 0.05100 0.04500 0.00000 -0.00300 0.00000 Wat12 0.05100 0.04000 0.06000 -0.00200 0.01400 -0.01100 Wat13 0.05600 0.03900 0.06100 0.00500 0.02400 0.00000