#------------------------------------------------------------------------------
#$Date: 2025-02-03 14:08:28 +0100 (Mon 03 de Feb de 2025) $
#$Revision: 297572 $
#$URL: svn://www.crystallography.net/cod/cif/4/35/08/4350826.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_4350826
loop_
_publ_author_name
'Kurakevych, Oleksandr O.'
'Le Godec, Yann'
'Crichton, Wilson A.'
'Guignard, Jérémy'
'Strobel, Timothy A.'
'Zhang, Haidong'
'Liu, Hanyu'
'Coelho Diogo, Cristina'
'Polian, Alain'
'Menguy, Nicolas'
'Juhl, Stephen J.'
'Gervais, Christel'
_publ_section_title
;
 Synthesis of Bulk BC8 Silicon Allotrope by Direct Transformation and
 Reduced-Pressure Chemical Pathways
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   17
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8943
_journal_page_last               8950
_journal_paper_doi               10.1021/acs.inorgchem.6b01443
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            Si
_chemical_name_common            'Si III_Ia-3 BC8'
_space_group_IT_number           206
_space_group_name_Hall           '-I 2b 2c 3'
_space_group_name_H-M_alt        'I a -3'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            8
_cell_length_a                   6.621800
_cell_length_b                   6.621800
_cell_length_c                   6.621800
_cell_volume                     290.354
_cod_data_source_file            submission_COD_SiIIIBC8_Ia-3_InChem.cif
_cod_data_source_block           VESTA_phase_1
_cod_original_cell_volume        290.977000
_cod_database_code               4350826
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +z,+x,+y
3 +y,+z,+x
4 +x+1/2,-y+1/2,-z
5 -z,+x+1/2,-y+1/2
6 -y+1/2,-z,+x+1/2
7 -z+1/2,-x,+y+1/2
8 +y+1/2,-z+1/2,-x
9 -y,+z+1/2,-x+1/2
10 -x+1/2,-y,+z+1/2
11 +z+1/2,-x+1/2,-y
12 -x,+y+1/2,-z+1/2
-1 -x,-y,-z
-2 -z,-x,-y
-3 -y,-z,-x
-4 -x+1/2,+y+1/2,+z
-5 +z,-x+1/2,+y+1/2
-6 +y+1/2,+z,-x+1/2
-7 +z+1/2,+x,-y+1/2
-8 -y+1/2,+z+1/2,+x
-9 +y,-z+1/2,+x+1/2
-10 +x+1/2,+y,-z+1/2
-11 -z+1/2,+x+1/2,+y
-12 +x,-y+1/2,+z+1/2
101 +x+1/2,+y+1/2,+z+1/2
102 +z+1/2,+x+1/2,+y+1/2
103 +y+1/2,+z+1/2,+x+1/2
104 +x,-y,-z+1/2
105 -z+1/2,+x,-y
106 -y,-z+1/2,+x
107 -z,-x+1/2,+y
108 +y,-z,-x+1/2
109 -y+1/2,+z,-x
110 -x,-y+1/2,+z
111 +z,-x,-y+1/2
112 -x+1/2,+y,-z
-101 -x+1/2,-y+1/2,-z+1/2
-102 -z+1/2,-x+1/2,-y+1/2
-103 -y+1/2,-z+1/2,-x+1/2
-104 -x,+y,+z+1/2
-105 +z+1/2,-x,+y
-106 +y,+z+1/2,-x
-107 +z,+x+1/2,-y
-108 -y,+z,+x+1/2
-109 +y+1/2,-z,+x
-110 +x,+y+1/2,-z
-111 -z,+x,+y+1/2
-112 +x+1/2,-y,+z
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_type_symbol
Si 0.9999 0.103000 0.103000 0.103000 Uiso Si
loop_
_atom_type_symbol
Si
loop_
_citation_id
_citation_title
_citation_journal_full
_citation_journal_id_ASTM
_citation_year
_citation_journal_volume
_citation_journal_issue
_citation_page_first
_citation_page_last
_citation_doi
_citation_special_details
1
;
 Correction to Synthesis of Bulk BC8 Silicon Allotrope by Direct Transformation
 and Reduced-Pressure Chemical Pathways
;
'Inorganic Chemistry' INOCAJ 2016 55 19 9949 9949 10.1021/acs.inorgchem.6b02124
;
 The correction lists Nasim Alem from the Department of Materials Science and
 Engineering, The Pennsylvania State University as one of the coauthors of the
 original publication.
;
