data_global
_chemical_name_mineral 'Hedenbergite'
loop_
_publ_author_name
'Abdu Y A'
'Hawthorne F C'
_journal_name_full 'American Mineralogist'
_journal_volume 98 
_journal_year 2013
_journal_page_first 1227
_journal_page_last 1234
_publ_section_title
;
 Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
 ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
 of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
 Note split-M2-O2-O3 model
 Sample: Hd60Fs40
;
_database_code_amcsd 0019862
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe1.4 Ca.6 Si2 O6'
_cell_length_a 9.806
_cell_length_b 9.068
_cell_length_c 5.238
_cell_angle_alpha 90
_cell_angle_beta 105.92
_cell_angle_gamma 90
_cell_volume 447.903
_exptl_crystal_density_diffrn      3.773
_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
FeM1   0.00000   0.90567   0.25000   1.00000   0.01000
FeM2   0.00000   0.30000   0.25000   0.40000   0.01180
CaM2*   0.00000   0.26320   0.25000   0.60000   0.01180
SiT   0.29196   0.09056   0.23993   1.00000   0.00940
O1   0.12150   0.08980   0.15340   1.00000   0.01070
O2*   0.36100   0.25200   0.32300   0.60000   0.00920
O2**   0.38000   0.22900   0.36700   0.40000   0.00920
O3*   0.34920   0.03938  -0.01420   0.60000   0.00850
O3**   0.35220   0.01490   0.00150   0.40000   0.00850