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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536389.cif $
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#
# 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_1536389
loop_
_publ_author_name
'Pakhomov, V.I.'
'Goryunov, A.V.'
'Pakhomov, P.V.'
'Chibiskova, N.T.'
_publ_section_title
;
 On the structure of alpha-Si O2 crystals doped with Fe3+
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              44
_journal_page_last               50
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.916
_cell_length_b                   4.917
_cell_length_c                   5.407
_cell_volume                     113.188
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pakhomov_ZNOKAQ_1993_1447.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        113.1877
_cod_original_formula_sum        'O2 Si1'
_cod_database_code               1536389
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
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
Si1 Si+4 0.4702 0 0.3333 1 0.0
Si2 Si+4 0 0.47 0.6667 1 0.0
O1 O-2 0.8533 0.5861 0.8813 1 0.0
O5 O-2 0.2674 0.4137 0.7859 1 0.0
O6 O-2 0.7338 0.1465 0.549 1 0.0
O4 O-2 0.414 0.2679 0.2159 1 0.0
O3 O-2 0.1477 0.7326 0.4532 1 0.0
Si3 Si+4 0.5306 0.5305 -0.0001 1 0.0
O2 O-2 0.5862 0.8539 0.118 1 0.0
