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 = 600 C
 pyroxene
;
_database_code_amcsd 347
_chemical_formula_sum 'Si2 Fe Ca O6'
_cell_length_a 9.884
_cell_length_b 9.11
_cell_length_c 5.264
_cell_angle_alpha 90.0
_cell_angle_beta 105.11
_cell_angle_gamma 90.0
_cell_volume 457.6
_exptl_crystal_density_diffrn  3.601
_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   0.2875  0.0918  0.2329
Fe1   0.0  0.9057  0.25
Ca2   0.0  0.299  0.25
O1   0.1194  0.0894  0.1514
O2   0.362  0.2444  0.32
O3   0.3494  0.0172  0.9969
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   0.01218  0.01324  0.01103  -0.00075  0.00324  -0.00063
Fe1   0.0167  0.01615  0.01397  0.0  0.0027  0.0
Ca2   0.02975  0.0185  0.01802  0.0  -0.00125  0.0
O1   0.01315  0.02195  0.01688  -0.00013  0.0027  0.00101
O2   0.02897  0.01753  0.02326  -0.00735  0.00548  -0.00281
O3   0.01854  0.0246  0.0154  -0.00044  0.0055  -0.00617