data_global _chemical_name_mineral 'Lakebogaite' loop_ _publ_author_name 'Mills S J' 'Birch W D' 'Kolitsch U' 'Mumme W G' 'Grey I E' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 691 _journal_page_last 697 _publ_section_title ; Lakebogaite, CaNaFe3+2H(UO2)2(PO4)4(OH)2(H2O)8, a new uranyl phosphate with a unique crystal structure from Victoria, Australia ; _database_code_amcsd 0004567 _chemical_compound_source 'Upper Devonian granite, near Lake Boga, northern Victoria, Australia' _chemical_formula_sum 'U1.888 Fe1.91 Al.09 P4 Ca.87 Na1.13 O29 H16' _cell_length_a 19.6441 _cell_length_b 7.0958 _cell_length_c 18.7029 _cell_angle_alpha 90 _cell_angle_beta 115.692 _cell_angle_gamma 90 _cell_volume 2349.273 _exptl_crystal_density_diffrn 3.459 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+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 U1 0.03220 0.50940 0.16510 0.88800 0.00600 U2 0.95930 0.50140 0.83780 1.00000 0.01600 Fe1 0.24710 0.73260 0.50220 1.00000 0.01300 Fe2 0.24590 0.23020 0.50320 0.91000 0.01100 Al2 0.24590 0.23020 0.50320 0.09000 0.01100 P1 0.37110 0.97730 0.47420 1.00000 0.01300 P2 0.62250 0.98820 0.53230 1.00000 0.01100 P3 0.15210 0.47030 0.34170 1.00000 0.01100 P4 0.83850 0.49400 0.65950 1.00000 0.01700 Ca1 0.26780 0.23110 0.29900 0.87000 0.01400 Na1 0.26780 0.23110 0.29900 0.13000 0.01400 Na2 0.71590 0.74050 0.69130 1.00000 0.03600 O1 0.33700 0.14600 0.49670 1.00000 0.01900 O2 0.44630 0.92230 0.54090 1.00000 0.01600 O3 0.31650 0.80690 0.45280 1.00000 0.01800 O4 0.37980 0.03520 0.39750 1.00000 0.01700 O5 0.61020 0.94060 0.60380 1.00000 0.01800 O6 0.65370 0.81580 0.50980 1.00000 0.02300 O7 0.67500 0.15680 0.54990 1.00000 0.01600 O8 0.54600 0.04150 0.46240 1.00000 0.02700 O9 0.16450 0.49200 0.26750 1.00000 0.01300 O10 0.17490 0.64330 0.39530 1.00000 0.01400 O11 0.19810 0.29670 0.38680 1.00000 0.01700 O12 0.06500 0.43590 0.30970 1.00000 0.01400 O13 0.81880 0.32060 0.61100 1.00000 0.02200 O14 0.79080 0.66200 0.61950 1.00000 0.01900 O15 0.92510 0.53290 0.69250 1.00000 0.01500 O16 0.83210 0.46030 0.73990 1.00000 0.01900 O17 0.03600 0.75020 0.18700 1.00000 0.02500 O18 0.02920 0.26060 0.14540 1.00000 0.02100 O19 0.95260 0.75090 0.84600 1.00000 0.03600 O20 0.96560 0.24920 0.82590 1.00000 0.03300 O-H1 0.29180 0.48090 0.52840 1.00000 0.01800 O-H2 0.19710 0.97980 0.47330 1.00000 0.01700 Wat1 0.34900 0.47150 0.39070 1.00000 0.04800 Wat2 0.21120 0.92410 0.30210 1.00000 0.03100 Wat3 0.29580 0.46790 0.21520 1.00000 0.04600 Wat4 0.17060 0.11250 0.16140 1.00000 0.04400 Wat5 0.55190 0.47960 0.45870 1.00000 0.01100 Wat6 0.45460 0.50830 0.52480 1.00000 0.05700 Wat7 0.41600 0.48940 0.68190 1.00000 0.02400 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 U1 0.00300 0.01100 0.00400 0.00000 0.00100 -0.00100 U2 0.01400 0.02500 0.01200 -0.00100 0.00800 -0.00200 Fe1 0.01200 0.01900 0.01100 -0.00100 0.00700 -0.00100 Fe2 0.00900 0.01600 0.01000 0.00300 0.00500 -0.00100 Al2 0.00900 0.01600 0.01000 0.00300 0.00500 -0.00100 P1 0.01100 0.02400 0.00400 0.00300 0.00500 0.00000 P2 0.00700 0.02000 0.00700 0.00300 0.00400 0.00200 P3 0.00400 0.02500 0.00400 -0.00200 0.00200 -0.00500 P4 0.01500 0.02200 0.01400 -0.00200 0.00600 -0.00300 Ca1 0.01600 0.01700 0.01700 0.00500 0.01300 0.00000 Na1 0.01600 0.01700 0.01700 0.00500 0.01300 0.00000 Na2 0.03200 0.03500 0.04800 0.01200 0.02400 0.01900