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: Di65En20CaTs15
;
_database_code_amcsd 0006530
_chemical_formula_sum 'Ca.8 Mg1.03 Al.32 Si1.85 O6'
_cell_length_a 9.700
_cell_length_b 8.861
_cell_length_c 5.258
_cell_angle_alpha 90
_cell_angle_beta 106.47
_cell_angle_gamma 90
_cell_volume 433.390
_exptl_crystal_density_diffrn      3.275
_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   0.29900   0.25000   0.80000   0.01507
MgM2   0.00000   0.29900   0.25000   0.20000   0.01507
MgM1   0.00000   0.90750   0.25000   0.83000   0.00785
AlM1   0.00000   0.90750   0.25000   0.17000   0.00785
AlT   0.28840   0.09320   0.23220   0.07500   0.00874
SiT   0.28840   0.09320   0.23220   0.92500   0.00874
O1   0.11480   0.08700   0.13980   1.00000   0.01115
O2   0.36370   0.25180   0.32530   1.00000   0.01482
O3   0.35170   0.01940   0.99680   1.00000   0.01292