data_global _chemical_name_mineral 'Fersmite' loop_ _publ_author_name 'Gurbanova O A' 'Rastsvetaeva R K' 'Kashaev A A' 'Smolin A S' _journal_name_full 'Crystallography Reports' _journal_volume 46 _journal_year 2001 _journal_page_first 194 _journal_page_last 195 _publ_section_title ; Refined crystal structure of TR-fersmite (TR = Ce) ; _database_code_amcsd 0012371 _chemical_compound_source 'Ust'-Biran deposit' _chemical_formula_sum '(Ca.89 Ce.11) (Nb1.3 Ti.7) O6' _cell_length_a 5.762 _cell_length_b 14.988 _cell_length_c 5.246 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 453.049 _exptl_crystal_density_diffrn 4.418 _symmetry_space_group_name_H-M 'P c a n' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,y,1/2+z' 'x,-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2+y,1/2-z' '1/2-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 CaA 0.22600 0.50000 0.25000 0.89000 0.01216 CeA 0.22600 0.50000 0.25000 0.11000 0.01216 NbB 0.18270 0.16620 0.29990 0.65000 0.01039 TiB 0.18270 0.16620 0.29990 0.35000 0.01039 O1 0.39950 0.08860 0.40400 1.00000 0.01849 O2 0.42980 0.40130 0.51100 1.00000 0.01887 O3 0.36500 0.25760 0.12850 1.00000 0.01646