data_global _chemical_name_mineral 'Galgenbergite-(Ce)' loop_ _publ_author_name 'Walter F' 'Bojar H P' 'Hollerer C E' 'Mereiter K' _journal_name_full 'Mineralogy and Petrology' _journal_volume 107 _journal_year 2013 _journal_page_first 189 _journal_page_last 199 _publ_section_title ; The crystal structure of galgenbergite-(Ce), CaCe2(CO3)4H2O ; _database_code_amcsd 0019826 _chemical_formula_sum '(Ca1.089 Ce1.911) C4 O13 H2' _cell_length_a 6.3916 _cell_length_b 6.4005 _cell_length_c 12.3898 _cell_angle_alpha 100.884 _cell_angle_beta 96.525 _cell_angle_gamma 100.492 _cell_volume 483.635 _exptl_crystal_density_diffrn 3.910 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Ca1 -0.00410 0.86573 0.12130 0.96100 0.01400 Ce1 -0.00410 0.86573 0.12130 0.03900 0.01400 Ce2 0.52044 0.37151 0.15052 0.94400 0.00900 Ca2 0.52044 0.37151 0.15052 0.05600 0.00900 Ce3 0.75717 0.10050 0.40501 0.92800 0.01000 Ca3 0.75717 0.10050 0.40501 0.07200 0.01000 C1 0.53820 0.90050 0.10810 1.00000 0.01200 O1 0.69600 0.03740 0.17360 1.00000 0.01700 O2 0.56900 0.71190 0.06170 1.00000 0.01400 O3 0.36230 0.95930 0.08480 1.00000 0.01700 C2 0.06240 0.42620 0.12450 1.00000 0.01300 O4 0.21790 0.56990 0.18540 1.00000 0.02100 O5 0.09940 0.23710 0.08180 1.00000 0.01400 O6 -0.12090 0.47410 0.10120 1.00000 0.01700 C3 0.82050 0.63450 0.36750 1.00000 0.01500 O7 0.67900 0.69820 0.30460 1.00000 0.02800 O8 0.85360 0.44300 0.33960 1.00000 0.02200 O9 0.91960 0.77210 0.45510 1.00000 0.01700 C4 0.28310 0.09450 0.34580 1.00000 0.01300 O10 0.08280 0.06030 0.30770 1.00000 0.01800 O11 0.35710 0.00160 0.41990 1.00000 0.02400 O12 0.42500 0.22130 0.30870 1.00000 0.02200 O13w 0.68200 0.41300 0.54510 1.00000 0.02900 H1 0.71500 0.42100 0.61600 1.00000 0.03800 H2 0.53400 0.42300 0.54100 1.00000 0.19000 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 Ca1 0.01300 0.01300 0.01500 0.00300 0.00100 0.00100 Ce1 0.01300 0.01300 0.01500 0.00300 0.00100 0.00100 Ce2 0.00800 0.00800 0.01000 0.00100 0.00100 0.00200 Ca2 0.00800 0.00800 0.01000 0.00100 0.00100 0.00200 Ce3 0.00900 0.00900 0.01200 0.00200 0.00000 0.00300 Ca3 0.00900 0.00900 0.01200 0.00200 0.00000 0.00300 C1 0.01100 0.01200 0.01300 0.00300 0.00300 0.00600 O1 0.01100 0.01400 0.02200 0.00100 -0.00300 -0.00100 O2 0.01800 0.01100 0.01400 0.00600 0.00200 0.00100 O3 0.01100 0.01400 0.02600 0.00400 -0.00200 0.00400 C2 0.01400 0.01400 0.01400 0.00400 0.00500 0.00700 O4 0.01500 0.01600 0.02900 0.00100 0.00300 -0.00100 O5 0.01700 0.01200 0.01500 0.00600 0.00300 0.00300 O6 0.01200 0.01800 0.02600 0.00900 0.00500 0.01000 C3 0.01700 0.01000 0.01500 -0.00100 0.00100 0.00200 O7 0.03400 0.02000 0.02400 0.00600 -0.01300 0.00100 O8 0.02800 0.01200 0.02400 0.00300 0.00900 0.00200 O9 0.01900 0.01400 0.01500 0.00100 -0.00500 -0.00100 C4 0.01400 0.01400 0.01200 0.00500 0.00000 0.00100 O10 0.01200 0.02500 0.01400 0.00300 -0.00300 0.00200 O11 0.01500 0.03600 0.02300 0.00400 0.00000 0.01900 O12 0.01900 0.03000 0.01900 0.00300 0.00600 0.01200 O13w 0.03600 0.02500 0.02900 0.01000 0.01100 0.00400