data_global _amcsd_formula_title 'Na3Ca6(UO2)4(CO3)12(H2O)17' loop_ _publ_author_name 'Vochten R' 'Haverbeke L V' 'Springel K V' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 553 _journal_page_last 561 _publ_section_title ; The structure and physicochemical characteristics of a synthetic phase compositionally intermediate between liebigite and andersonite ; _database_code_amcsd 0005406 _chemical_formula_sum 'Na3 Ca6 U4 C12 O61 H34' _cell_length_a 18.150 _cell_length_b 16.866 _cell_length_c 18.436 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 5643.590 _exptl_crystal_density_diffrn 2.843 _symmetry_space_group_name_H-M 'P n n m' 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' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '-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 Na8 0.66750 0.52920 0.28420 0.05400 Na9 0.67870 0.86400 0.00000 0.07400 Ca4 0.55760 0.67400 0.18610 0.01880 Ca5 0.43700 0.82060 0.31470 0.01990 Ca6 0.75160 0.52680 0.00000 0.02360 Ca7 0.31960 0.92580 0.00000 0.02400 U1 0.74700 0.79040 0.22780 0.02000 U2 0.51220 0.72100 0.50000 0.02000 U3 0.47920 0.76300 0.00000 0.01900 C11 0.74930 0.63770 0.15580 0.02300 C12 0.60850 0.85690 0.27190 0.02500 C13 0.38530 0.63830 0.23720 0.02600 C21 0.55980 0.65770 0.36350 0.02400 C22 0.41100 0.85500 0.50000 0.03000 C31 0.42550 0.82580 0.13690 0.02200 C32 0.59400 0.64300 0.00000 0.03800 O11 0.74130 0.83800 0.14220 0.03600 O12 0.75210 0.74430 0.31450 0.03200 O111 0.80740 0.68000 0.16830 0.02900 O112 0.68920 0.67030 0.18080 0.03900 O113 0.75180 0.57210 0.12410 0.02900 O121 0.67060 0.89090 0.28340 0.03200 O122 0.61200 0.79090 0.23680 0.03100 O123 0.54840 0.88780 0.29310 0.03800 O131 0.32290 0.60090 0.22760 0.02800 O132 0.38260 0.70300 0.27030 0.02800 O133 0.44350 0.61080 0.20910 0.03200 O21 0.59110 0.78200 0.50000 0.03500 O22 0.43340 0.65710 0.50000 0.03300 O211 0.57800 0.62720 0.42540 0.03400 O212 0.51580 0.71760 0.36810 0.03000 O213 0.58280 0.63000 0.30450 0.03200 O221 0.43940 0.82190 0.44150 0.03500 O222 0.36360 0.90700 0.50000 0.04300 O31 0.54650 0.83720 0.00000 0.03600 O32 0.41220 0.68520 0.00000 0.04000 O311 0.47430 0.76990 0.13300 0.02700 O312 0.39870 0.84650 0.07420 0.02800 O313 0.40840 0.85990 0.19390 0.03000 O321 0.56530 0.67460 0.05900 0.03700 O322 0.63710 0.58670 0.00000 0.03900 Wat41 0.58850 0.53720 0.16160 0.04500 Wat51 0.41150 0.96040 0.34230 0.03400 Wat61 0.69800 0.42180 -0.07470 0.08800 Wat71 0.86400 0.47190 0.41710 0.04100 Wat72 0.72990 0.62660 0.41810 0.05800 Wat73 0.72610 0.46820 0.50000 0.03700 Wat81 0.29560 0.97120 0.20740 0.04100 Wat82 0.61370 0.46670 0.39060 0.05300 Wat91 0.26000 0.74700 0.50000 0.06900 Wat92 0.50000 0.00000 0.15610 0.04300