#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010497.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_1010497
_chemical_name_systematic          'Magnesium iron(II) silicate (1.8/.2/1)'
_chemical_name_mineral             'Olivine'
_chemical_formula_structural       'Fe0.2 Mg1.8 Si O4'
_chemical_formula_sum            'Fe0.2 Mg1.8 O4 Si'
_[local]_cod_chemical_formula_sum_orig 'Fe.2 Mg1.8 O4 Si'
_publ_section_title                'Die Struktur des Olivins.'
loop_
_publ_author_name
  'Bragg, W L'
  'Brown, G B'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    63
_journal_year                      1926
_journal_page_first                538
_journal_page_last                 556
_cell_length_a                     4.755
_cell_length_b                     10.21
_cell_length_c                     5.985
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       290.6
_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
  Fe2+   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. 0.9  0 d
  Fe1   Fe2+   4 a 0. 0. 0. 0.1  0 d
  Mg2   Mg2+   4 c 0. 0.28 0.25 0.9  0 d
  Fe2   Fe2+   4 c 0. 0.28 0.25 0.1  0 d
  Si1   Si4+   4 c 0.4 0.1 0.25 1.  0 d
  O1    O2-    4 c -0.25 0.08 0.25 1.  0 d
  O2    O2-    4 c 0.25 0.42 0.25 1.  0 d
  O3    O2-    8 d 0.25 0.17 0. 1.  0 d
_cod_database_code 1010497