data_global _chemical_name_mineral 'Metauranocircite II' loop_ _publ_author_name 'Khosrawan-Sazedj F' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 29 _journal_year 1982 _journal_page_first 193 _journal_page_last 204 _publ_section_title ; The crystal structure of meta-uranocircite II, Ba(UO2)2(PO4)2*6H2O ; _database_code_amcsd 0015684 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ba.92 U2 P2 O18 H12' _cell_length_a 9.789 _cell_length_b 9.882 _cell_length_c 16.868 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 89.95 _cell_volume 1631.724 _exptl_crystal_density_diffrn 3.926 _symmetry_space_group_name_H-M 'P 1 1 21/a' loop_ _space_group_symop_operation_xyz 'x,y,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 Ba 0.87402 0.82940 0.94228 0.92000 0.03483 U1 0.73137 0.50710 0.79811 1.00000 0.01456 U2 0.72978 0.00705 0.69617 1.00000 0.01469 P1 0.47570 0.76220 0.75760 1.00000 0.01773 P2 0.47990 0.25790 0.75850 1.00000 0.01773 O1 0.74060 0.51740 0.90500 1.00000 0.02533 O2 0.71410 0.50960 0.69510 1.00000 0.02280 O3 0.70710 0.01140 0.59340 1.00000 0.03546 O4 0.75020 0.99190 0.80190 1.00000 0.02153 O5 0.40410 0.85830 0.81680 1.00000 0.02280 O6 0.56400 0.84200 0.70290 1.00000 0.03800 O7 0.55740 0.66300 0.80260 1.00000 0.02153 O8 0.36650 0.70140 0.70660 1.00000 0.03800 O9 0.54960 0.15910 0.70160 1.00000 0.04053 O10 0.40250 0.36210 0.70740 1.00000 0.02913 O11 0.37630 0.18230 0.81150 1.00000 0.03293 O12 0.58340 0.33480 0.81090 1.00000 0.01013 Wat1 0.91970 0.11850 0.94150 1.00000 0.03800 Wat2 0.59050 0.89720 0.94620 1.00000 0.04559 Wat3 0.06580 0.60890 0.95260 1.00000 0.07346 Wat4 0.73610 0.67520 0.05130 1.00000 0.05573 Wat5 0.41320 0.57840 0.95460 1.00000 0.04686 Wat6 0.65080 0.21000 0.96370 1.00000 0.05699 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 Ba 0.04509 0.03445 0.02469 -0.00114 -0.00126 -0.00279 U1 0.01482 0.01444 0.01456 0.00215 0.00177 0.00000 U2 0.01330 0.01545 0.01519 0.00038 -0.00152 0.00051