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 0000348
_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
_cell_angle_beta 105.17
_cell_angle_gamma 90
_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   0.28720   0.09160   0.23240
Fe1   0.00000   0.90540   0.25000
Ca2   0.00000   0.29890   0.25000
O1   0.11950   0.08920   0.15170
O2   0.36180   0.24360   0.31930
O3   0.34900   0.01640   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 0.01382 0.01608 0.01416 -0.00155 0.00317 -0.00094
Fe1 0.02048 0.01959 0.01724 0.00000 0.00293 0.00000
Ca2 0.03689 0.02251 0.02260 0.00000 -0.00197 0.00000
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