data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Raudsepp M'
'Hawthorne F C'
'Turnock A C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 28 
_journal_year 1990
_journal_page_first 93
_journal_page_last 109
_publ_section_title
;
 Evaluation of the Rietveld method for the characterization of fine-grained
 products of the mineral synthesis: the diopside-hedenbergite join
 Sample: D3
;
_database_code_amcsd 0005236
_chemical_formula_sum '(Mg.74 Fe.26) Ca Si2 O6'
_cell_length_a 9.7730
_cell_length_b 8.9523
_cell_length_c 5.2524
_cell_angle_alpha 90
_cell_angle_beta 105.676
_cell_angle_gamma 90
_cell_volume 442.444
_exptl_crystal_density_diffrn      3.374
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgM1   0.00000   0.90800   0.25000   0.74000   0.00469
FeM1   0.00000   0.90800   0.25000   0.26000   0.00469
CaM2   0.00000   0.30000   0.25000   1.00000   0.00804
SiT   0.28730   0.09320   0.23230   1.00000   0.00442
O1   0.11690   0.09120   0.14530   1.00000   0.00646
O2   0.36230   0.24880   0.32270   1.00000   0.00823
O3   0.35050   0.01780   0.99800   1.00000   0.00709