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: Hd70Fs30
;
_database_code_amcsd 0019863
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe1.3 Ca.7 Si2 O6'
_cell_length_a 9.819
_cell_length_b 9.056
_cell_length_c 5.242
_cell_angle_alpha 90
_cell_angle_beta 105.61
_cell_angle_gamma 90
_cell_volume 448.931
_exptl_crystal_density_diffrn      3.741
_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   0.90619   0.25000   1.00000   0.00886
FeM2   0.00000   0.29980   0.25000   0.30000   0.01030
CaM2*   0.00000   0.26270   0.25000   0.70000   0.01030
SiT   0.29077   0.09098   0.23797   1.00000   0.00819
O1   0.12074   0.08997   0.15300   1.00000   0.00960
O2*   0.36140   0.24680   0.32020   0.70000   0.00990
O2**   0.38080   0.23700   0.37450   0.30000   0.00990
O3*   0.36200   0.01900   0.01100   0.70000   0.01030
O3**   0.34630   0.02460  -0.01100   0.30000   0.01030