#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103641.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_8103641
loop_
_publ_author_name
'Wenk, H.R.'
'Raymond, K.N.'
_publ_section_title
;
 Four new structure refinements of Olivine
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              86
_journal_page_last               105
_journal_volume                  137
_journal_year                    1973
_chemical_formula_sum            'Fe0.03 Mg1.97 O4 Si'
_chemical_name_systematic        '(Mg.985 Fe.015)2 Si O4'
_space_group_IT_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                   4.7533
_cell_length_b                   10.1972
_cell_length_c                   5.9821
_cell_volume                     289.954
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Wenk_ZEKGAX_1973_1292.cif
_cod_data_source_block           Fe0.03Mg1.97O4Si1
_cod_original_cell_volume        289.9545
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Fe0.03 Mg1.97 O4 Si1'
_cod_database_code               8103641
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mg2 Mg+2 0.99119 0.27744 0.25 0.982 0.0
O1 O-2 0.76557 0.09144 0.25 1 0.0
Si1 Si+4 0.42625 0.09409 0.25 1 0.0
Fe2 Fe+2 0.99119 0.27744 0.25 0.018 0.0
O2 O-2 0.22163 0.44721 0.25 1 0.0
Fe1 Fe+2 0 0 0 0.012 0.0
Mg1 Mg+2 0 0 0 0.988 0.0
O3 O-2 0.27723 0.16311 0.03315 1 0.0
