data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Salviulo G'
'Princivalle F'
'Demarchi G'
'Fabro C'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 19 
_journal_year 1992
_journal_page_first 213
_journal_page_last 219
_publ_section_title
;
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC126
;
_database_code_amcsd 0007726
_chemical_compound_source 'sample from Pico Cabugi, Brazil'
_chemical_formula_sum 'Ca.654 Na.078 Mg.957 Fe.126 Mn.004 Al.288 Ti.01 Cr.041 Si1.863 O6'
_cell_length_a 9.692
_cell_length_b 8.853
_cell_length_c 5.265
_cell_angle_alpha 90
_cell_angle_beta 106.76
_cell_angle_gamma 90
_cell_volume 432.564
_exptl_crystal_density_diffrn      3.336
_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
CaM2   0.00000   0.29580   0.25000   0.65400   0.01672
NaM2   0.00000   0.29580   0.25000   0.07800   0.01672
MgM2   0.00000   0.29580   0.25000   0.20000   0.01672
FeM2   0.00000   0.29580   0.25000   0.06400   0.01672
MnM2   0.00000   0.29580   0.25000   0.00400   0.01672
FeM2*   0.00000   0.21790   0.25000   0.02100   0.01811
MgM1   0.00000   0.90660   0.25000   0.75700   0.00963
FeM1   0.00000   0.90660   0.25000   0.04100   0.00963
AlM1   0.00000   0.90660   0.25000   0.15100   0.00963
TiM1   0.00000   0.90660   0.25000   0.01000   0.00963
CrM1   0.00000   0.90660   0.25000   0.04100   0.00963
SiT   0.28930   0.09270   0.23460   0.93150   0.01102
AlT   0.28930   0.09270   0.23460   0.06850   0.01102
O1   0.11500   0.08640   0.14020   1.00000   0.01305
O2   0.36430   0.25180   0.32580   1.00000   0.01773
O3   0.35190   0.01850   0.00040   1.00000   0.01621