#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/04/1010497.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
loop_
_publ_author_name
'Bragg, W L'
'Brown, G B'
_publ_section_title              'Die Struktur des Olivins.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              538
_journal_page_last               556
_journal_volume                  63
_journal_year                    1926
_chemical_formula_structural     'Fe0.2 Mg1.8 Si O4'
_chemical_formula_sum            'Fe0.2 Mg1.8 O4 Si'
_chemical_name_mineral           Olivine
_chemical_name_systematic        'Magnesium iron(II) silicate (1.8/.2/1)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.755
_cell_length_b                   10.21
_cell_length_c                   5.985
_cell_volume                     290.6
_cod_original_formula_sum        'Fe.2 Mg1.8 O4 Si'
_cod_database_code               1010497
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg2+ 2.000
Fe2+ 2.000
Si4+ 4.000
O2- -2.000
