data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Liang J'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 32 
_journal_year 1994
_journal_page_first 541
_journal_page_last 552
_publ_section_title
;
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: single crystal SC
;
_database_code_amcsd 0005384
_chemical_formula_sum '(Mg.992 Fe.008) Ca (Si1.932 Al.068) O6'
_cell_length_a 9.7429
_cell_length_b 8.9161
_cell_length_c 5.2557
_cell_angle_alpha 90
_cell_angle_beta 105.880
_cell_angle_gamma 90
_cell_volume 439.132
_exptl_crystal_density_diffrn      3.278
_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
MgM1   0.00000   0.90818   0.25000   0.99200   0.00481
FeM1   0.00000   0.90818   0.25000   0.00800   0.00481
CaM2   0.00000   0.30152   0.25000   1.00000   0.00849
SiT   0.28645   0.09328   0.22934   0.96600   0.00532
AlT   0.28645   0.09328   0.22934   0.03400   0.00532
O1   0.11533   0.08722   0.14135   1.00000   0.00709
O2   0.36136   0.25015   0.31912   1.00000   0.00887
O3   0.35085   0.01806   0.99519   1.00000   0.00785