data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Secco L'
'Martignago F'
'Dal Negro A'
'Reznitskii L Z'
'Sklyarov E V'
_journal_name_full 'American Mineralogist'
_journal_volume 87 
_journal_year 2002
_journal_page_first 709
_journal_page_last 714
_publ_section_title
;
 Crystal chemistry of Cr-V-rich clinopyroxenes
 Sample 5
;
_database_code_amcsd 0002810
_chemical_formula_sum 'Si1.982 Al.035 Cr.247 V.244 Mg.484 Fe.007 Mn.001 (Ca.51 Na.49) O6'
_cell_length_a 9.6718
_cell_length_b 8.8412
_cell_length_c 5.2670
_cell_angle_alpha 90
_cell_angle_beta 106.483
_cell_angle_gamma 90
_cell_volume 431.874
_exptl_crystal_density_diffrn      3.411
_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
SiT   0.28887   0.09210   0.23163   0.99100   0.00464
AlT   0.28887   0.09210   0.23163   0.00900   0.00464
CrM1   0.00000   0.90565   0.25000   0.24700   0.00538
VM1   0.00000   0.90565   0.25000   0.24400   0.00538
MgM1   0.00000   0.90565   0.25000   0.48400   0.00538
AlM1   0.00000   0.90565   0.25000   0.01700   0.00538
FeM1   0.00000   0.90565   0.25000   0.00700   0.00538
MnM1   0.00000   0.90565   0.25000   0.00100   0.00538
CaM2   0.00000   0.30199   0.25000   0.51000   0.00932
NaM2   0.00000   0.30199   0.25000   0.49000   0.00932
O1   0.11467   0.08255   0.14007   1.00000   0.00736
O2   0.36041   0.25353   0.31131   1.00000   0.00880
O3   0.35161   0.01422   0.00118   1.00000   0.00765