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 = 5.36 GPa
;
_database_code_amcsd 0004150
_chemical_formula_sum '(Ca.88 K.12) Mg.83 Al.19 Si1.98 O6'
_cell_length_a 9.5674
_cell_length_b 8.7596
_cell_length_c 5.1863
_cell_angle_alpha 90
_cell_angle_beta 105.520
_cell_angle_gamma 90
_cell_volume 418.798
_exptl_crystal_density_diffrn      3.440
_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   0.30440   0.25000   0.88000   0.01634
K2   0.00000   0.30440   0.25000   0.12000   0.01634
Mg1   0.00000   0.90870   0.25000   0.83000   0.01241
Al1   0.00000   0.90870   0.25000   0.17000   0.01241
Si   0.28600   0.09410   0.22490   0.99000   0.01216
Al   0.28600   0.09410   0.22490   0.01000   0.01216
O1   0.11190   0.08460   0.13700   1.00000   0.01773
O2   0.35820   0.25490   0.31440   1.00000   0.01722
O3   0.35200   0.01900   0.98800   1.00000   0.01418