data_global _chemical_name_mineral 'Andremeyerite' loop_ _publ_author_name 'Cannillo E' 'Mazzi F' 'Rossi G' _journal_name_full 'American Mineralogist' _journal_volume 73 _journal_year 1988 _journal_page_first 608 _journal_page_last 612 _publ_section_title ; Crystal structure of andremeyerite, BaFe(Fe,Mn,Mg)Si2O7 ; _database_code_amcsd 0001164 _chemical_formula_sum 'Ba Fe1.92 Mg.08 Si2 O7' _cell_length_a 7.488 _cell_length_b 13.785 _cell_length_c 7.085 _cell_angle_alpha 90 _cell_angle_beta 118.23 _cell_angle_gamma 90 _cell_volume 644.341 _exptl_crystal_density_diffrn 4.275 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,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 Ba 0.48930 0.14340 0.29400 1.00000 Fe1 -0.00240 0.24390 0.30580 1.00000 Fe2 -0.03800 0.50160 0.21150 0.92000 Mg2 -0.03800 0.50160 0.21150 0.08000 SiA 0.27650 0.39080 0.20230 1.00000 SiB 0.72410 0.38330 0.38770 1.00000 O1A 0.22620 0.50010 0.10550 1.00000 O1B 0.72510 0.48330 0.27370 1.00000 O2A 0.25730 0.31180 0.02490 1.00000 O2B 0.72700 0.29030 0.24810 1.00000 O3A 0.12290 0.37140 0.30160 1.00000 O3B 0.90900 0.37630 0.62900 1.00000 O4 0.51040 0.37840 0.40210 1.00000 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 Ba 0.01345 0.01059 0.01323 -0.00092 0.00647 -0.00087 Fe1 0.00728 0.00963 0.01105 0.00046 0.00292 0.00000 Fe2 0.00882 0.00963 0.01283 -0.00092 0.00396 -0.00131 Mg2 0.00882 0.00963 0.01283 -0.00092 0.00396 -0.00131 SiA 0.00662 0.00963 0.01027 0.00092 0.00250 0.00131 SiB 0.00706 0.00770 0.00908 0.00046 0.00334 0.00087 O1A 0.01080 0.01251 0.01105 0.00184 0.00125 0.00305 O1B 0.01588 0.01348 0.02606 0.00323 0.01210 0.00567 O2A 0.00816 0.01829 0.01461 -0.00276 0.00250 -0.00959 O2B 0.01080 0.01251 0.02823 -0.00138 0.00960 -0.00741 O3A 0.01389 0.00963 0.02685 -0.00092 0.01335 0.00262 O3B 0.01080 0.01251 0.01796 -0.00230 0.00209 0.00087 O4 0.00970 0.01348 0.00336 -0.00138 0.00146 0.00000