data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Tribaudino M'
'Nestola F'
'Ohashi H'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 17 
_journal_year 2005
_journal_page_first 297
_journal_page_last 304
_publ_section_title
;
 High temperature single crystal investigation in a clinopyroxene of
 composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
 Sample: T = 25 C, 2-theta <= 110
 Note: Sample is exactly intermediate between diopside and kosmochlor
;
_database_code_amcsd 0007093
_chemical_formula_sum '(Na.5 Ca.5) (Cr.5 Mg.5) Si2 O6'
_cell_length_a 9.658
_cell_length_b 8.834
_cell_length_c 5.263
_cell_angle_alpha 90
_cell_angle_beta 106.46
_cell_angle_gamma 90
_cell_volume 430.630
_exptl_crystal_density_diffrn      3.422
_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
NaM2   0.00000   0.30199   0.25000   0.50000   0.01139
CaM2   0.00000   0.30199   0.25000   0.50000   0.01139
CrM1   0.00000   0.90650   0.25000   0.50000   0.00584
MgM1   0.00000   0.90650   0.25000   0.50000   0.00584
Si   0.28874   0.09238   0.23022   1.00000   0.00556
O1   0.11426   0.08212   0.13900   1.00000   0.00810
O2   0.36006   0.25412   0.31030   1.00000   0.00960
O3   0.35172   0.01425   0.99990   1.00000   0.00820
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
NaM2 0.01360 0.00840 0.00950 0.00000 -0.00110 0.00000
CaM2 0.01360 0.00840 0.00950 0.00000 -0.00110 0.00000
CrM1 0.00600 0.00770 0.00560 0.00000 0.00097 0.00000
MgM1 0.00600 0.00770 0.00560 0.00000 0.00097 0.00000
Si 0.00600 0.00870 0.00650 0.00016 -0.00134 -0.00023
O1 0.00600 0.01200 0.01100 0.00020 0.00110 -0.00100
O2 0.01400 0.01100 0.00800 -0.00240 0.00250 -0.00110
O3 0.00700 0.00700 0.00800 0.00020 0.00200 -0.00230