data_global _amcsd_formula_title 'Sr[(UO2)3(SeO3)2O2].4H2O' loop_ _publ_author_name 'Almond P M' 'Albrecht-Schmitt T E' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 976 _journal_page_last 980 _publ_section_title ; Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites, Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O ; _database_code_amcsd 0003567 _chemical_formula_sum 'U3 Sr Se2 O18 H8' _cell_length_a 17.014 _cell_length_b 7.0637 _cell_length_c 7.1084 _cell_angle_alpha 90 _cell_angle_beta 100.544 _cell_angle_gamma 90 _cell_volume 839.875 _exptl_crystal_density_diffrn 4.965 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-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 _atom_site_occupancy _atom_site_U_iso_or_equiv U(1) 0.00000 0.00000 0.00000 1.00000 0.00910 U(2) -0.10866 0.50000 0.95299 1.00000 0.00950 Sr 0.00000 -0.32210 0.50000 0.50000 0.00950 Se 0.20653 0.00000 0.11359 1.00000 0.01110 O(1) 0.13720 0.17070 0.05940 1.00000 0.03100 O(2) 0.25090 0.00000 0.92110 1.00000 0.02400 O(3) 0.00000 -0.31580 0.00000 1.00000 0.03300 O(4) 0.00070 0.00000 0.74400 1.00000 0.02700 O(5) -0.10670 0.50000 0.20990 1.00000 0.02700 O(6) -0.11100 0.50000 0.69610 1.00000 0.02400 Wat(7) -0.14540 -0.13800 0.43300 0.50000 0.02600 Wat(8) -0.21270 -0.23500 0.47000 0.50000 0.02900 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(1) 0.01000 0.00500 0.01300 0.00000 0.00300 0.00000 U(2) 0.00900 0.00500 0.01500 0.00000 0.00300 0.00000 Sr 0.01300 0.00600 0.00900 0.00000 0.00100 0.00000 Se 0.00900 0.00700 0.01700 0.00000 0.00300 0.00000 O(1) 0.01500 0.00700 0.06600 0.00000 -0.00600 -0.01100 O(2) 0.01000 0.04900 0.01500 0.00000 0.00300 0.00000 O(3) 0.01000 0.00300 0.08400 0.00000 0.00000 0.00000 O(4) 0.01600 0.04600 0.02000 0.00000 0.00500 0.00000 O(5) 0.00900 0.04400 0.02700 0.00000 0.00400 0.00000 O(6) 0.01400 0.04500 0.01400 0.00000 0.00400 0.00000 Wat(7) 0.01700 0.03600 0.02100 0.01500 -0.00700 0.00000 Wat(8) 0.03700 0.00800 0.04000 0.00500 0.00400 0.00100