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: Ae504, T = 200 K
;
_database_code_amcsd 0004205
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Ca.503 Na.497) Fe Si2 O6'
_cell_length_a 9.7361
_cell_length_b 8.9020
_cell_length_c 5.2733
_cell_angle_alpha 90
_cell_angle_beta 106.099
_cell_angle_gamma 90
_cell_volume 439.118
_exptl_crystal_density_diffrn      3.624
_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   0.30110   0.25000   0.50300   0.00740
Na2   0.00000   0.30110   0.25000   0.49700   0.00740
Fe2+1   0.00000   0.90280   0.25000   0.50300   0.00380
Fe3+1   0.00000   0.90280   0.25000   0.49700   0.00380
Si   0.28880   0.09110   0.23380   1.00000   0.00240
O1   0.11580   0.08310   0.14410   1.00000   0.00680
O2   0.35970   0.25220   0.31330   1.00000   0.00720
O3   0.35110   0.01440   0.00330   1.00000   0.00610