data_global _chemical_name_mineral 'Srebrodolskite' loop_ _publ_author_name 'Kahlenberg V' 'Fischer R X' _journal_name_full 'European Journal of Mineralogy' _journal_volume 12 _journal_year 2000 _journal_page_first 129 _journal_page_last 135 _publ_section_title ; Crystal growth and cation distribution in doped dicalcium ferrite Ca2(Fe1-xMex)2O5 (Me=Al,Ga) Sample: Me = Ga ; _database_code_amcsd 0006827 _chemical_formula_sum 'Ca2 (Fe1.445 Ga.555) O5' _cell_length_a 5.420 _cell_length_b 14.721 _cell_length_c 5.599 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 446.732 _exptl_crystal_density_diffrn 4.156 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 Ca 0.51800 0.39190 0.97560 1.00000 0.00570 Fe 0.50000 0.50000 0.50000 0.87500 0.00350 Ga 0.50000 0.50000 0.50000 0.12500 0.00350 FeT 0.55150 0.25000 0.43260 0.57000 0.00270 GaT 0.55150 0.25000 0.43260 0.43000 0.00270 O1 0.47450 0.35860 0.57340 1.00000 0.00680 O2 0.40030 0.25000 0.12600 1.00000 0.00490 O3 0.73870 0.51550 0.76150 1.00000 0.00520 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 0.00860 0.00360 0.00470 0.00000 0.00110 -0.00100 Fe 0.00220 0.00650 0.00170 -0.00030 0.00010 0.00040 Ga 0.00220 0.00650 0.00170 -0.00030 0.00010 0.00040 FeT 0.00370 0.00120 0.00270 0.00000 0.00000 0.00000 GaT 0.00370 0.00120 0.00270 0.00000 0.00000 0.00000 O1 0.01200 0.00200 0.00620 -0.00100 0.00040 0.00200 O2 0.00440 0.00510 0.00620 0.00000 -0.00260 0.00000 O3 0.00430 0.00810 0.00260 0.00100 -0.00280 -0.00060