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: Ae503 ; _database_code_amcsd 0004203 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Ca.506 Na.494) Fe Si2 O6' _cell_length_a 9.7412 _cell_length_b 8.9086 _cell_length_c 5.2776 _cell_angle_alpha 90 _cell_angle_beta 106.221 _cell_angle_gamma 90 _cell_volume 439.760 _exptl_crystal_density_diffrn 3.620 _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_occupancy _atom_site_U_iso_or_equiv Ca2 0.00000 0.30070 0.25000 0.50600 0.01210 Na2 0.00000 0.30070 0.25000 0.49400 0.01210 Fe2+1 0.00000 0.90250 0.25000 0.50600 0.00610 Fe3+1 0.00000 0.90250 0.25000 0.49400 0.00610 Si 0.28870 0.09100 0.23360 1.00000 0.00430 O1 0.11630 0.08290 0.14440 1.00000 0.00880 O2 0.35950 0.25180 0.31260 1.00000 0.00960 O3 0.35110 0.01380 0.00360 1.00000 0.00860