data_global _chemical_name_mineral 'Swartzite' loop_ _publ_author_name 'Mereiter K' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1986 _journal_year 1986 _journal_page_first 481 _journal_page_last 492 _publ_section_title ; Synthetic swartzite, CaMg[UO2(CO3)3]*12H2O, and its strontium analogue, SrMg[UO2(CO3)3]*12H2O: Crystallography and crystal structures ; _database_code_amcsd 0014803 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Mg U C3 O23 H24' _cell_length_a 11.080 _cell_length_b 14.634 _cell_length_c 6.439 _cell_angle_alpha 90 _cell_angle_beta 99.43 _cell_angle_gamma 90 _cell_volume 1029.941 _exptl_crystal_density_diffrn 2.356 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+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 Ca 0.58193 0.25000 0.77410 0.02153 Mg 0.00000 0.00000 0.00000 0.02280 U 0.21979 0.25000 0.55092 0.01520 C1 -0.04350 0.25000 0.44950 0.02153 C2 0.35410 0.08180 0.63520 0.02280 O1 0.22930 0.25000 0.27810 0.03546 O2 0.20900 0.25000 0.82500 0.03166 O3 0.01940 0.17600 0.48660 0.03800 O4 -0.15700 0.25000 0.38570 0.03293 O5 0.23700 0.08270 0.56780 0.02660 O6 0.40490 0.16170 0.63910 0.02660 O7 0.41290 0.01070 0.69340 0.03166 OW1 0.49170 0.25000 0.09440 0.05573 OW2 0.79120 0.25000 0.95220 0.04179 OW3 0.62370 0.08240 0.92400 0.03800 OW4 0.65170 0.15530 0.50480 0.05573 OW5 -0.08260 0.03230 0.25260 0.03800 OW6 0.16830 0.00330 0.18300 0.04939 OW7 0.01980 0.13820 -0.04860 0.04559 H11 0.40500 0.25000 0.09500 0.09119 H12 0.53300 0.25000 0.23800 0.09119 H21 0.80900 0.25000 0.10300 0.09119 H22 0.86800 0.25000 0.90000 0.09119 H31 0.56100 0.05200 0.83000 0.06079 H32 0.62500 0.05800 0.06300 0.06079 H41 0.73400 0.16700 0.48200 0.06079 H42 0.62800 0.09600 0.45000 0.06079 H51 -0.05600 0.08300 0.34300 0.06079 H52 -0.13500 -0.00500 0.32200 0.06079 H61 0.19700 0.01900 0.32300 0.06079 H62 0.23600 -0.03200 0.13300 0.06079 H71 0.09900 0.16300 0.00400 0.09119 H72 0.00200 0.15000 -0.19700 0.09119 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 Ca 0.01500 0.02500 0.02400 0.00000 0.00100 0.00000 Mg 0.02000 0.02400 0.02500 -0.00100 0.00400 0.00000 U 0.01200 0.01800 0.01400 0.00000 0.00200 0.00000 C1 0.01600 0.02600 0.02400 0.00000 0.00200 0.00000 C2 0.02100 0.02000 0.02700 -0.00100 0.00200 0.00000 O1 0.03700 0.05100 0.01900 0.00000 0.00600 0.00000 O2 0.02900 0.04600 0.01800 0.00000 0.00600 0.00000 O3 0.02000 0.02200 0.07200 0.00000 -0.00800 -0.00200 O4 0.01700 0.03800 0.04300 0.00000 0.00300 0.00000 O5 0.01800 0.02100 0.04000 -0.00300 0.00000 -0.00200 O6 0.01700 0.02100 0.04100 -0.00100 0.00000 0.00100 O7 0.02600 0.02100 0.04800 0.00300 0.00100 0.00200 OW1 0.04500 0.08700 0.03700 0.00000 0.01600 0.00000 OW2 0.02600 0.05500 0.04400 0.00000 -0.00200 0.00000 OW3 0.02600 0.04700 0.04000 -0.00300 0.00100 0.01000 OW4 0.05700 0.03600 0.07300 -0.02000 0.04200 -0.02400 OW5 0.04300 0.03500 0.03400 -0.01400 0.01800 -0.00900 OW6 0.02700 0.07700 0.04400 0.01200 -0.00800 -0.02400 OW7 0.05500 0.02900 0.05300 -0.00700 0.01500 0.00700