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 = 24 C
 pyroxene
;
_database_code_amcsd 345
_chemical_formula_sum 'Si2 Fe Ca O6'
_cell_length_a 9.845
_cell_length_b 9.024
_cell_length_c 5.245
_cell_angle_alpha 90.0
_cell_angle_beta 104.74
_cell_angle_gamma 90.0
_cell_volume 450.638
_exptl_crystal_density_diffrn  3.657
_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   0.2878  0.0924  0.2326
Fe1   0.0  0.9075  0.25
Ca2   0.0  0.3003  0.25
O1   0.1197  0.0904  0.1525
O2   0.3627  0.2461  0.3228
O3   0.3502  0.0198  0.9932
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   0.0051  0.00479  0.00468  -0.00017  0.0013  -0.00051
Fe1   0.00583  0.00491  0.00572  0.0  0.00125  0.0
Ca2   0.00987  0.00705  0.00693  0.0  0.00015  0.0
O1   0.00551  0.00916  0.00717  0.00074  0.00108  -0.00016
O2   0.01153  0.00817  0.00954  -0.00283  0.0021  -0.00093
O3   0.00758  0.01015  0.00759  -0.00061  0.00254  -0.0026