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 0000345
_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
_cell_angle_beta 104.74
_cell_angle_gamma 90
_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   0.28780   0.09240   0.23260
Fe1   0.00000   0.90750   0.25000
Ca2   0.00000   0.30030   0.25000
O1   0.11970   0.09040   0.15250
O2   0.36270   0.24610   0.32280
O3   0.35020   0.01980   0.99320
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 0.00510 0.00479 0.00468 -0.00017 0.00130 -0.00051
Fe1 0.00583 0.00491 0.00572 0.00000 0.00125 0.00000
Ca2 0.00987 0.00705 0.00693 0.00000 0.00015 0.00000
O1 0.00551 0.00916 0.00717 0.00074 0.00108 -0.00016
O2 0.01153 0.00817 0.00954 -0.00283 0.00210 -0.00093
O3 0.00758 0.01015 0.00759 -0.00061 0.00254 -0.00260