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 350
_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 90.0
_cell_angle_beta 105.28
_cell_angle_gamma 90.0
_cell_volume 463.24
_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   0.2871  0.0915  0.2327
Fe1   0.0  0.9049  0.25
Ca2   0.0  0.2984  0.25
O1   0.1196  0.089  0.1502
O2   0.3617  0.2428  0.3173
O3   0.3484  0.016  0.9976
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   0.026  0.02561  0.02165  0.0  0.00397  0.0
Ca2   0.04631  0.02821  0.02737  0.0  -0.00316  0.0
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  -0.0016  0.00644  -0.01074