data_global _chemical_name_mineral 'Ancylite-(Ce)' loop_ _publ_author_name 'dal Negro A' 'Rossi G' 'Tazzoli V' _journal_name_full 'American Mineralogist' _journal_volume 60 _journal_year 1975 _journal_page_first 280 _journal_page_last 284 _publ_section_title ; The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x(2-x)H2O ; _database_code_amcsd 454 _chemical_compound_source 'Mont St. Hilaire, Quebec, Canada' _chemical_formula_sum '(Ce.41 La.28 Sr.2 Ca.11) C O4 H1.31' _cell_length_a 5.03 _cell_length_b 8.52 _cell_length_c 7.29 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 312.417 _exptl_crystal_density_diffrn 4.159 _symmetry_space_group_name_H-M 'P m c n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' 'x,1/2-y,1/2+z' '-x,1/2+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 Ce 0.25 0.3399 0.6476 0.41 0.01013 La 0.25 0.3399 0.6476 0.28 0.01013 Sr 0.25 0.3399 0.6476 0.2 0.01013 Ca 0.25 0.3399 0.6476 0.11 0.01013 C 0.75 0.1905 0.8099 1.0 0.01001 O1 0.75 0.3181 0.721 1.0 0.02292 O2 0.5297 0.1218 0.852 1.0 0.01963 O-H3 0.25 0.4135 0.9749 0.69 0.03078 Wat3 0.25 0.4135 0.9749 0.31 0.03078 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 Ce 0.01064 0.00919 0.0105 0.0 0.0 -0.00063 La 0.01064 0.00919 0.0105 0.0 0.0 -0.00063 Sr 0.01064 0.00919 0.0105 0.0 0.0 -0.00063 Ca 0.01064 0.00919 0.0105 0.0 0.0 -0.00063 C 0.01064 0.00405 0.01508 0.0 0.0 0.00346 O1 0.02051 0.01912 0.02908 0.0 0.0 0.01164 O2 0.01577 0.02023 0.02288 -0.00369 0.00149 0.00189 O-H3 0.04076 0.0342 0.01696 0.0 0.0 0.01196 Wat3 0.04076 0.0342 0.01696 0.0 0.0 0.01196