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 349
_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 90.0
_cell_angle_beta 105.22
_cell_angle_gamma 90.0
_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   0.2872  0.0915  0.2327
Fe1   0.0  0.9051  0.25
Ca2   0.0  0.2987  0.25
O1   0.1193  0.0889  0.1506
O2   0.3617  0.2429  0.3188
O3   0.3486  0.0162  0.9973
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  -0.0012  0.00392  -0.00076
Fe1   0.02291  0.0231  0.01865  0.0  0.00301  0.0
Ca2   0.04226  0.02497  0.02593  0.0  -0.00217  0.0
O1   0.01726  0.03059  0.02433  -0.00089  0.00488  -2e-05
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