data_global _amcsd_formula_title 'Ca[(UO2)4O3(OH)4](H2O)2' loop_ _publ_author_name 'Glatz R E' 'Li Y' 'Hughes K-A' 'Cahill C L' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 40 _journal_year 2002 _journal_page_first 217 _journal_page_last 224 _publ_section_title ; Synthesis and structure of a new Ca uranyl oxide hydrate, Ca[(UO2)4O3(OH)4](H2O)2, and its relationship to becquerelite ; _database_code_amcsd 0005768 _chemical_formula_sum 'U4 Ca O17 H8' _cell_length_a 8.0556 _cell_length_b 8.4212 _cell_length_c 10.958 _cell_angle_alpha 78.878 _cell_angle_beta 87.922 _cell_angle_gamma 72.277 _cell_volume 694.587 _exptl_crystal_density_diffrn 6.083 _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 U(1) 0.44695 0.40453 0.85968 0.01250 U(2) 0.46623 -0.05465 0.84821 0.01180 U(3) 0.16021 0.30513 0.57354 0.01370 U(4) 0.17971 -0.19134 0.57226 0.01280 Ca(1) -0.07290 0.06180 0.81560 0.02600 O(1) 0.08300 0.58400 0.55310 0.01900 O(2) 0.42000 0.15700 0.95510 0.01700 O(3) 0.03200 0.28900 0.71680 0.01900 O(4) 0.68900 -0.06100 0.80390 0.01800 O(5) 0.07800 0.09600 0.53600 0.02900 O(6) 0.24300 -0.04800 0.88340 0.02100 O(7) 0.29200 -0.19700 0.42510 0.02000 O(8) 0.68000 0.30100 0.84120 0.01900 O(9) 0.06100 -0.17700 0.72010 0.02300 O(10) 0.22200 0.50500 0.88250 0.02400 O(11) 0.30900 0.30400 0.44400 0.02600 O-H(1) 0.53500 0.63320 0.90900 0.01400 O-H(2) 0.40500 0.23090 0.71050 0.01400 O-H(3) 0.41600 0.57440 0.66740 0.01800 O-H(4) 0.39500 -0.07800 0.64970 0.02500 Wat(1) -0.01900 -0.18600 0.99580 0.02700 Wat(2) 0.85400 -0.42700 0.82800 0.03100 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) 0.01370 0.01030 0.01310 -0.00340 -0.00010 -0.00160 U(2) 0.01280 0.01080 0.01200 -0.00400 0.00030 -0.00190 U(3) 0.01410 0.01450 0.01300 -0.00580 0.00050 -0.00160 U(4) 0.01430 0.01030 0.01390 -0.00380 0.00050 -0.00240 Ca(1) 0.01500 0.01600 0.04800 -0.00500 0.00400 -0.00900 O(1) 0.03000 0.01000 0.01800 -0.01100 0.00000 -0.00100 O(2) 0.02700 0.01100 0.01100 -0.00500 -0.00300 -0.00100 O(3) 0.01900 0.02600 0.01100 -0.00700 0.00400 0.00100 O(4) 0.01700 0.01700 0.01700 -0.00600 0.00000 0.00000 O(5) 0.02200 0.01200 0.05200 -0.00200 -0.01000 -0.00500 O(6) 0.02100 0.01300 0.03000 -0.00800 -0.00300 -0.00200 O(7) 0.03200 0.02300 0.00900 -0.01300 0.00600 -0.00500 O(8) 0.01700 0.01500 0.02100 -0.00100 -0.00400 -0.00200 O(9) 0.02800 0.02300 0.02200 -0.01200 0.01100 -0.00900 O(10) 0.02400 0.01700 0.02600 -0.00100 0.00300 -0.00200 O(11) 0.00900 0.03900 0.02500 -0.00400 0.00100 -0.00200 O-H(1) 0.02400 0.00800 0.01000 -0.00700 0.00000 0.00200 O-H(2) 0.01800 0.01400 0.01200 -0.01000 -0.01000 -0.00100 O-H(3) 0.01500 0.01200 0.01800 0.00100 0.00100 0.00900 O-H(4) 0.02600 0.03200 0.02000 -0.01100 0.00400 -0.01000 Wat(1) 0.02500 0.03900 0.02100 -0.01300 0.00200 -0.00900 Wat(2) 0.02700 0.03000 0.03600 -0.00600 0.00500 -0.00900