data_global _chemical_name_mineral 'Hedenbergite' loop_ _publ_author_name 'Redhammer G J' 'Amthauer G' 'Lottermoser W' 'Treutmann W' _journal_name_full 'European Journal of Mineralogy' _journal_volume 12 _journal_year 2000 _journal_page_first 105 _journal_page_last 120 _publ_section_title ; Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: hd/6 ; _database_code_amcsd 0006815 _chemical_formula_sum '(Na.06 Ca.94) Fe Si2 O6' _cell_length_a 9.8475 _cell_length_b 9.0277 _cell_length_c 5.2495 _cell_angle_alpha 90 _cell_angle_beta 104.805 _cell_angle_gamma 90 _cell_volume 451.189 _exptl_crystal_density_diffrn 3.637 _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 NaM2 0.00000 0.30040 0.25000 0.06000 0.00456 CaM2 0.00000 0.30040 0.25000 0.94000 0.00456 FeM1 0.00000 0.90730 0.25000 1.00000 0.00595 SiT 0.28690 0.09310 0.23190 1.00000 0.00355 O1 0.12300 0.09160 0.15290 1.00000 0.01089 O2 0.36440 0.24570 0.32280 1.00000 0.01368 O3 0.34630 0.02100 0.00200 1.00000 0.01482