#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1101035.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_1101035
_journal_name_full                 'Mineralogy and Petrology'
_journal_volume                    36
_journal_year                      1987
_journal_page_first                71
_journal_page_last                 84
_publ_section_title
;
Structural modifications in clinopyroxene solid solutions: The Ca - Mg
and Ca - Sr substitutions in the diopside structure
;
loop_
_publ_author_name
  'Benna, P'
  'Chiari, G'
  'Bruno, E'
_chemical_name_systematic
;
Calcium strontium magnesium catena-disilicate (.8/.2/1/1)
;
_chemical_name_mineral             'Diopside strontian'
loop_
_publ_author_name
  'Wright, A F'
  'Lehmann, M S'
_chemical_name_systematic          'Silicon oxide'
_chemical_name_mineral             'Quartz high'
loop_
_publ_author_name
  'Donaldson, J D'
  'Moser, W'
  'Simpson, W B'
_chemical_name_systematic          'Tin (II) oxide - red modification'
_chemical_formula_structural       'Sn O'
_chemical_formula_sum              'O Sn'
_symmetry_space_group_name_H-M     'C m c 21'
_symmetry_Int_Tables_number        36
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '-x,-y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
_cell_length_a                     5.
_cell_length_b                     5.72
_cell_length_c                     11.12
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       318.0
_cell_formula_units_Z              8
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sn2+   2.000
  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
  Sn1   Sn2+   4 a 0. 0. 0. 1.  0 d
  Sn2   Sn2+   4 a 0. 0.441 0.254 1.  0 d
  O1    O2-    8 b 0.18 0.25 0.38 1.  0 d