data_global _chemical_name_mineral 'Fontanite' loop_ _publ_author_name 'Hughes K-A' 'Burns P C' _journal_name_full 'American Mineralogist' _journal_volume 88 _journal_year 2003 _journal_page_first 962 _journal_page_last 966 _publ_section_title ; A new uranyl carbonate sheet in the crystal structure of fontanite, Ca[(UO2)3(CO3)2O2](H2O)6 ; _database_code_amcsd 0003131 _chemical_formula_sum 'U3 Ca C2 O20 H12' _cell_length_a 6.968 _cell_length_b 17.276 _cell_length_c 15.377 _cell_angle_alpha 90 _cell_angle_beta 90.064 _cell_angle_gamma 90 _cell_volume 1851.069 _exptl_crystal_density_diffrn 3.984 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+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_U_iso_or_equiv U(1) 0.52670 0.23710 0.83720 0.02500 U(2) 0.02670 0.28430 0.73010 0.02400 U(3) 0.02570 0.19520 0.94830 0.02400 Ca(1) 0.94100 0.51740 0.78480 0.04300 C(1) 0.53200 0.31750 0.66560 0.00100 C(2) 0.52700 0.16880 0.01500 0.00600 O(1) 0.02300 0.28800 0.99000 0.04900 O(2) 0.04000 0.35090 0.59660 0.01500 O(3) 0.51300 0.14400 0.79000 0.04900 Wat(4) -0.08800 0.45500 0.93500 0.05900 O(5) 0.01300 0.37460 0.77800 0.05400 O(6) -0.31600 0.17640 0.96900 0.03600 O(7) 0.84400 0.23400 0.83300 0.03700 O(8) 0.02800 0.14510 0.09400 0.03500 O(9) 0.68400 0.29200 0.70040 0.03000 O(10) 0.37000 0.30220 0.70740 0.03200 O(11) 0.20700 0.23800 0.83480 0.02900 O(12) 0.54100 0.33140 0.89040 0.03600 O(13) 0.37100 0.18670 0.97760 0.02100 O(14) 0.03600 0.09930 0.90980 0.03000 Wat(15) 0.78600 0.60700 0.88800 0.04100 Wat(16) 0.23900 0.49300 0.69000 0.05500 Wat(17) 0.20300 0.57100 0.86900 0.06200 Wat(18) 0.80800 0.49800 0.63900 0.05200 Wat(19) 0.59000 0.47600 0.79800 0.08200 O(20) 0.03800 0.19980 0.66990 0.03300 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) 0.01100 0.04400 0.02000 -0.00200 -0.00300 0.00200 U(2) 0.01100 0.03600 0.02400 -0.00100 -0.00200 0.00200 U(3) 0.01000 0.04300 0.01900 -0.00100 -0.00300 0.00200 Ca(1) 0.03700 0.05200 0.03900 -0.00100 0.00000 0.00300