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 = 400 C
 pyroxene
;
_database_code_amcsd 346
_chemical_formula_sum 'Si2 Fe Ca O6'
_cell_length_a 9.87
_cell_length_b 9.077
_cell_length_c 5.258
_cell_angle_alpha 90.0
_cell_angle_beta 105.01
_cell_angle_gamma 90.0
_cell_volume 454.992
_exptl_crystal_density_diffrn  3.622
_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  0.0921  0.2329
Fe1   0.0  0.9064  0.25
Ca2   0.0  0.2993  0.25
O1   0.1195  0.0898  0.1519
O2   0.3619  0.2449  0.3211
O3   0.3497  0.018  0.9949
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   0.00944  0.00985  0.00885  -0.0007  0.00248  -0.00049
Fe1   0.01206  0.01165  0.01115  0.0  0.00186  0.0
Ca2   0.02155  0.01415  0.01418  0.0  -0.0013  0.0
O1   0.01022  0.0162  0.01416  0.00088  0.00233  0.00035
O2   0.02182  0.01344  0.0194  -0.00552  0.00439  -0.00182
O3   0.01344  0.01949  0.01288  0.0  0.00395  -0.00528