data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Bindi L'
'Downs R T'
'Harlow G E'
'Safonov O G'
'Litvin Y A'
'Perchuk L L'
'Uchida H'
'Menchetti S'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 802
_journal_page_last 808
_publ_section_title
;
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, P = 9.72 GPa
;
_database_code_amcsd 0004152
_chemical_formula_sum '(Ca.88 K.12) Mg.83 Al.19 Si1.98 O6'
_cell_length_a 9.4762
_cell_length_b 8.6541
_cell_length_c 5.1356
_cell_angle_alpha 90
_cell_angle_beta 105.269
_cell_angle_gamma 90
_cell_volume 406.293
_exptl_crystal_density_diffrn      3.545
_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
Ca2   0.00000   0.30580   0.25000   0.88000   0.01001
K2   0.00000   0.30580   0.25000   0.12000   0.01001
Mg1   0.00000   0.90980   0.25000   0.83000   0.00697
Al1   0.00000   0.90980   0.25000   0.17000   0.00697
Si   0.28620   0.09480   0.22470   0.99000   0.00671
Al   0.28620   0.09480   0.22470   0.01000   0.00671
O1   0.11240   0.08520   0.13850   1.00000   0.01089
O2   0.35880   0.25770   0.31700   1.00000   0.01178
O3   0.35410   0.02110   0.98720   1.00000   0.00912