#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011202.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_1011202
_chemical_name_systematic          'Calcium magnesium silicate'
_chemical_name_mineral             'Monticellite'
_chemical_formula_structural       'Ca Mg (Si O4)'
_chemical_formula_sum              'Ca Mg O4 Si'
_publ_section_title
;
The structure of monticellite (Mg Ca Si O4).
;
loop_
_publ_author_name
  'Brown, G B'
  'West, J'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    66
_journal_year                      1927
_journal_page_first                154
_journal_page_last                 161
_cell_length_a                     4.815
_cell_length_b                     11.08
_cell_length_c                     6.37
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       339.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  Ca2+   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
  Mg1   Mg2+   4 a 0. 0. 0. 1.  0 d
  Ca1   Ca2+   4 c -0.017 0.257 0.25 1.  0 d
  Si1   Si4+   4 c 0.403 0.086 0.25 1.  0 d
  O1    O2-    4 c -0.236 0.067 0.25 1.  0 d
  O2    O2-    4 c -0.264 0.464 0.25 1.  0 d
  O3    O2-    8 d 0.25 0.153 0.03 1.  0 d
_cod_database_code 1011202