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 = 800 C
 pyroxene
;
_database_code_amcsd 348
_chemical_formula_sum 'Si2 Fe Ca O6'
_cell_length_a 9.897
_cell_length_b 9.138
_cell_length_c 5.269
_cell_angle_alpha 90.0
_cell_angle_beta 105.17
_cell_angle_gamma 90.0
_cell_volume 459.917
_exptl_crystal_density_diffrn  3.583
_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   0.2872  0.0916  0.2324
Fe1   0.0  0.9054  0.25
Ca2   0.0  0.2989  0.25
O1   0.1195  0.0892  0.1517
O2   0.3618  0.2436  0.3193
O3   0.349  0.0164  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   0.01382  0.01608  0.01416  -0.00155  0.00317  -0.00094
Fe1   0.02048  0.01959  0.01724  0.0  0.00293  0.0
Ca2   0.03689  0.02251  0.0226  0.0  -0.00197  0.0
O1   0.01433  0.02839  0.02082  0.00124  0.00359  0.00129
O2   0.03328  0.02238  0.03038  -0.00924  0.00598  -0.00278
O3   0.02075  0.03185  0.01828  -0.00018  0.00524  -0.00848