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