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: PC133
;
_database_code_amcsd 0007731
_chemical_compound_source 'sample from Pico Cabugi, Brazil'
_chemical_formula_sum 'Ca.737 Na.022 Mg1.052 Fe.116 Mn.003 Al.109 Ti.001 Cr.04 Si1.934 O6'
_cell_length_a 9.724
_cell_length_b 8.898
_cell_length_c 5.256
_cell_angle_alpha 90
_cell_angle_beta 106.56
_cell_angle_gamma 90
_cell_volume 435.908
_exptl_crystal_density_diffrn      3.316
_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   0.29480   0.25000   0.73700   0.01203
NaM2   0.00000   0.29480   0.25000   0.02200   0.01203
MgM2   0.00000   0.29480   0.25000   0.16200   0.01203
FeM2   0.00000   0.29480   0.25000   0.07600   0.01203
MnM2   0.00000   0.29480   0.25000   0.00300   0.01203
FeM2*   0.00000   0.20380   0.25000   0.01400   0.01381
MgM1   0.00000   0.90700   0.25000   0.89000   0.00405
FeM1   0.00000   0.90700   0.25000   0.02600   0.00405
AlM1   0.00000   0.90700   0.25000   0.04300   0.00405
TiM1   0.00000   0.90700   0.25000   0.00100   0.00405
CrM1   0.00000   0.90700   0.25000   0.04000   0.00405
SiT   0.28900   0.09260   0.23510   0.96700   0.00659
AlT   0.28900   0.09260   0.23510   0.03300   0.00659
O1   0.11630   0.08750   0.14230   1.00000   0.00773
O2   0.36480   0.24970   0.32910   1.00000   0.01254
O3   0.35160   0.01950  -0.00080   1.00000   0.01039