data_global _chemical_name_mineral 'Hedenbergite' loop_ _publ_author_name 'Redhammer G J' 'Amthauer G' 'Roth G' 'Tippelt G' 'Lottermoser W' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 1271 _journal_page_last 1292 _publ_section_title ; Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Sample: Hd21, T = 100K ; _database_code_amcsd 0004195 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Fe Si2 O6' _cell_length_a 9.8357 _cell_length_b 9.0078 _cell_length_c 5.2408 _cell_angle_alpha 90 _cell_angle_beta 104.664 _cell_angle_gamma 90 _cell_volume 449.200 _exptl_crystal_density_diffrn 3.668 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca2 0.00000 0.30120 0.25000 0.00360 Fe1 0.00000 0.90820 0.25000 0.00250 Si 0.28790 0.09280 0.23210 0.00220 O1 0.11950 0.09090 0.15230 0.00380 O2 0.36310 0.24670 0.32410 0.00470 O3 0.35040 0.02060 0.99120 0.00370