data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Dal Negro A'
'Manoli S'
'Secco L'
'Piccirillo E M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 1 
_journal_year 1989
_journal_page_first 105
_journal_page_last 121
_publ_section_title
;
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Fr-2
;
_database_code_amcsd 0006342
_chemical_compound_source 'Victoria, Australia'
_chemical_formula_sum 'Ca.637 Na.159 Fe.29 Mg.647 Mn.004 Al.444 Ti.046 Cr.001 Si1.772 O6'
_cell_length_a 9.693
_cell_length_b 8.837
_cell_length_c 5.279
_cell_angle_alpha 90
_cell_angle_beta 106.66
_cell_angle_gamma 90
_cell_volume 433.202
_exptl_crystal_density_diffrn      3.393
_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   0.29780   0.25000   0.63700   0.01507
NaM2   0.00000   0.29780   0.25000   0.15900   0.01507
FeM2   0.00000   0.29780   0.25000   0.14800   0.01507
MgM2   0.00000   0.29780   0.25000   0.05200   0.01507
MnM2   0.00000   0.29780   0.25000   0.00400   0.01507
AlM1   0.00000   0.90560   0.25000   0.21600   0.00760
FeM1   0.00000   0.90560   0.25000   0.14200   0.00760
MgM1   0.00000   0.90560   0.25000   0.59500   0.00760
TiM1   0.00000   0.90560   0.25000   0.04600   0.00760
CrM1   0.00000   0.90560   0.25000   0.00100   0.00760
SiT   0.28900   0.09260   0.23180   0.88600   0.00874
AlT   0.28900   0.09260   0.23180   0.11400   0.00874
O1   0.11380   0.08520   0.13790   1.00000   0.01191
O2   0.36350   0.25390   0.32160   1.00000   0.01494
O3   0.35210   0.01770  -0.00160   1.00000   0.01368