data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Tribaudino M'
'Molin G M'
'Bruno E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 6 
_journal_year 1994
_journal_page_first 77
_journal_page_last 86
_publ_section_title
;
 Effect of Al on enstatite solubility in CMAS clinopyroxenes:
 2 - Crystal chemical considerations
 Sample: Di75En10CaTs15
;
_database_code_amcsd 0006528
_chemical_formula_sum 'Ca.45 Mg.91 Al.29 Si1.85 O6'
_cell_length_a 9.707
_cell_length_b 8.863
_cell_length_c 5.267
_cell_angle_alpha 90
_cell_angle_beta 106.27
_cell_angle_gamma 90
_cell_volume 434.989
_exptl_crystal_density_diffrn      2.992
_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
CaM2   0.00000   0.30110   0.25000   0.45000   0.01469
MgM2   0.00000   0.30110   0.25000   0.05000   0.01469
MgM1   0.00000   0.90790   0.25000   0.86000   0.01026
AlM1   0.00000   0.90790   0.25000   0.14000   0.01026
AlT   0.28750   0.09340   0.22940   0.07500   0.00988
SiT   0.28750   0.09340   0.22940   0.92500   0.00988
O1   0.11430   0.08660   0.13900   1.00000   0.01241
O2   0.36270   0.25230   0.32120   1.00000   0.01507
O3   0.35180   0.01840   0.99470   1.00000   0.01305