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 = 900 C
 pyroxene
;
_database_code_amcsd 0000349
_chemical_formula_sum 'Si2 Fe Ca O6'
_cell_length_a 9.906
_cell_length_b 9.164
_cell_length_c 5.273
_cell_angle_alpha 90
_cell_angle_beta 105.22
_cell_angle_gamma 90
_cell_volume 461.886
_exptl_crystal_density_diffrn      3.568
_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   0.28720   0.09150   0.23270
Fe1   0.00000   0.90510   0.25000
Ca2   0.00000   0.29870   0.25000
O1   0.11930   0.08890   0.15060
O2   0.36170   0.24290   0.31880
O3   0.34860   0.01620   0.99730
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 0.01625 0.01817 0.01464 -0.00120 0.00392 -0.00076
Fe1 0.02291 0.02310 0.01865 0.00000 0.00301 0.00000
Ca2 0.04226 0.02497 0.02593 0.00000 -0.00217 0.00000
O1 0.01726 0.03059 0.02433 -0.00089 0.00488 -0.00002
O2 0.03809 0.02404 0.03091 -0.00861 0.00611 -0.00149
O3 0.02393 0.03225 0.02227 0.00022 0.00796 -0.01082