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: ae25/20
;
_database_code_amcsd 0006817
_chemical_formula_sum '(Na.25 Ca.75) Fe Si2 O6'
_cell_length_a 9.7951
_cell_length_b 8.9698
_cell_length_c 5.2634
_cell_angle_alpha 90
_cell_angle_beta 105.523
_cell_angle_gamma 90
_cell_volume 445.574
_exptl_crystal_density_diffrn      3.635
_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   0.29770   0.25000   0.25000   0.00836
CaM2   0.00000   0.29770   0.25000   0.75000   0.00836
FeM1   0.00000   0.90420   0.25000   1.00000   0.00557
SiT   0.29060   0.08960   0.23950   1.00000   0.00494
O1   0.11620   0.09370   0.15800   1.00000   0.00735
O2   0.36240   0.24910   0.31090   1.00000   0.00975
O3   0.34230   0.01920   0.99400   1.00000   0.00823