data_global
_chemical_name_mineral 'Hedenbergite'
loop_
_publ_author_name
'Cameron M'
'Sueno S'
'Prewitt C T'
'Papike J J'
_journal_name_full 'American Mineralogist'
_journal_volume 58 
_journal_year 1973
_journal_page_first 594
_journal_page_last 618
_publ_section_title
;
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
 spodumene, and ureyite
 T = 1000 C
 pyroxene
;
_database_code_amcsd 0000350
_chemical_formula_sum 'Si2 Fe Ca O6'
_cell_length_a 9.916
_cell_length_b 9.179
_cell_length_c 5.276
_cell_angle_alpha 90
_cell_angle_beta 105.28
_cell_angle_gamma 90
_cell_volume 463.240
_exptl_crystal_density_diffrn      3.557
_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
Si   0.28710   0.09150   0.23270
Fe1   0.00000   0.90490   0.25000
Ca2   0.00000   0.29840   0.25000
O1   0.11960   0.08900   0.15020
O2   0.36170   0.24280   0.31730
O3   0.34840   0.01600   0.99760
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.01738 0.02015 0.01571 -0.00044 0.00432 -0.00154
Fe1 0.02600 0.02561 0.02165 0.00000 0.00397 0.00000
Ca2 0.04631 0.02821 0.02737 0.00000 -0.00316 0.00000
O1 0.01812 0.03534 0.02236 -0.00044 0.00348 0.00038
O2 0.04061 0.02792 0.03426 -0.01099 0.00626 -0.00308
O3 0.02503 0.03684 0.02274 -0.00160 0.00644 -0.01074