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 0000347
_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
_cell_angle_beta 105.11
_cell_angle_gamma 90
_cell_volume 457.600
_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   0.28750   0.09180   0.23290
Fe1   0.00000   0.90570   0.25000
Ca2   0.00000   0.29900   0.25000
O1   0.11940   0.08940   0.15140
O2   0.36200   0.24440   0.32000
O3   0.34940   0.01720   0.99690
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 0.01670 0.01615 0.01397 0.00000 0.00270 0.00000
Ca2 0.02975 0.01850 0.01802 0.00000 -0.00125 0.00000
O1 0.01315 0.02195 0.01688 -0.00013 0.00270 0.00101
O2 0.02897 0.01753 0.02326 -0.00735 0.00548 -0.00281
O3 0.01854 0.02460 0.01540 -0.00044 0.00550 -0.00617