data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Kabalov Y K'
'Oeckler O'
'Sokolova E V'
'Mironov A B'
'Chesnokov B V'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 9 
_journal_year 1997
_journal_page_first 617
_journal_page_last 621
_publ_section_title
;
 Subsilicic ferrian aluminian diopside from the Chelyabinsk
 coal basin (Southern Urals) - an unusual clinopyroxene
;
_database_code_amcsd 0006695
_chemical_compound_source 'Chelyabinsk coal basin, Southern Urals'
_chemical_formula_sum 'Fe.51 Al.6 Mg.44 Ca.96 Si1.4 O6'
_cell_length_a 9.786
_cell_length_b 8.860
_cell_length_c 5.338
_cell_angle_alpha 90
_cell_angle_beta 105.87
_cell_angle_gamma 90
_cell_volume 445.185
_exptl_crystal_density_diffrn      3.419
_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
FeM1   0.00000   0.09600   0.75000   0.35000   0.01267
AlM1   0.00000   0.09600   0.75000   0.20000   0.01267
MgM1   0.00000   0.09600   0.75000   0.44000   0.01267
CaM2   0.00000   0.69700   0.75000   0.96000   0.01013
FeT   0.21100   0.40800   0.77400   0.08000   0.01267
SiT   0.21100   0.40800   0.77400   0.70000   0.01267
AlT   0.21100   0.40800   0.77400   0.20000   0.01267
O1   0.39600   0.41200   0.86500   1.00000   0.01520
O2   0.14400   0.24200   0.64800   1.00000   0.01140
O3   0.14800   0.48100   0.02000   1.00000   0.00507