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 0000346
_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
_cell_angle_beta 105.01
_cell_angle_gamma 90
_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   0.28750   0.09210   0.23290
Fe1   0.00000   0.90640   0.25000
Ca2   0.00000   0.29930   0.25000
O1   0.11950   0.08980   0.15190
O2   0.36190   0.24490   0.32110
O3   0.34970   0.01800   0.99490
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 -0.00070 0.00248 -0.00049
Fe1 0.01206 0.01165 0.01115 0.00000 0.00186 0.00000
Ca2 0.02155 0.01415 0.01418 0.00000 -0.00130 0.00000
O1 0.01022 0.01620 0.01416 0.00088 0.00233 0.00035
O2 0.02182 0.01344 0.01940 -0.00552 0.00439 -0.00182
O3 0.01344 0.01949 0.01288 0.00000 0.00395 -0.00528