#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1100018.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1100018
_chemical_name_systematic
;
Calcium strontium magnesium catena-disilicate (.8/.2/1/1)
;
_chemical_name_mineral             'Diopside strontian'
loop_
_publ_author_name
  'Benna, P'
  'Chiari, G'
  'Bruno, E'
_journal_name_full                 'Mineralogy and Petrology'
_journal_volume                    36
_journal_year                      1987
_journal_page_first                71
_journal_page_last                 84
_cell_length_a                     9.758(3)
_cell_length_b                     8.973(3)
_cell_length_c                     5.253(1)
_cell_angle_alpha                  90
_cell_angle_beta                   105.67(3)
_cell_angle_gamma                  90
_cell_volume                       442.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  Sr2+   2.000
  Mg2+   2.000
  Si4+   4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ca1   Ca2+   4 e 0. 0.3021(1) 0.25 0.8  0 d
  Sr1   Sr2+   4 e 0. 0.3021(1) 0.25 0.2  0 d
  Mg1   Mg2+   4 e 0. 0.9081(1) 0.25 1.  0 d
  Si1   Si4+   8 f 0.2859(1) 0.0928(1) 0.2274(1) 1.  0 d
  O1    O2-    8 f 0.1154(2) 0.0864(2) 0.1413(4) 1.  0 d
  O2    O2-    8 f 0.3609(2) 0.2493(2) 0.3151(4) 1.  0 d
  O3    O2-    8 f 0.3501(2) 0.0176(2) 0.9926(4) 1.  0 d