#------------------------------------------------------------------------------
#$Date: 2025-02-03 14:43:49 +0200 (Mon, 03 Feb 2025) $
#$Revision: 297570 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/38/1573832.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_1573832
loop_
_publ_author_name
'Pandolfi, Silvia'
'Renero-Lecuna, Carlos'
'Le Godec, Yann'
'Baptiste, Benoit'
'Menguy, Nicolas'
'Lazzeri, Michele'
'Gervais, Christel'
'Spektor, Kristina'
'Crichton, Wilson A.'
'Kurakevych, Oleksandr O.'
_publ_section_title
;
 Nature of Hexagonal Silicon Forming via High-Pressure Synthesis:
 Nanostructured Hexagonal 4H Polytype
;
_journal_coden_ASTM              NALEFD
_journal_issue                   9
_journal_name_full               'Nano Letters'
_journal_page_first              5989
_journal_page_last               5995
_journal_paper_doi               10.1021/acs.nanolett.8b02816
_journal_volume                  18
_journal_year                    2018
_chemical_formula_sum            Si
_chemical_name_common            'hexagonal 4H Si-IV'
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   3.79480
_cell_length_b                   3.79480
_cell_length_c                   12.70990
_cell_volume                     158.508
_cod_data_source_file            Si4HOK.cif
_cod_data_source_block           VESTA_phase_1
_cod_original_cell_volume        109.743
_cod_database_code               1573832
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'y, -x+y, z+1/2'
'-y, x-y, -z+1/2'
'x-y, x, z+1/2'
'-x+y, -x, -z+1/2'
'y, x, -z'
'-y, -x, z'
'x-y, -y, -z'
'-x+y, y, z'
'-x, -x+y, -z'
'x, x-y, z'
'-y, -x, -z+1/2'
'y, x, z+1/2'
'-x+y, y, -z+1/2'
'x-y, -y, z+1/2'
'x, x-y, -z+1/2'
'-x, -x+y, z+1/2'
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_U_iso_or_equiv
_atom_site_type_symbol
Si1 1.000 0.000000 0.000000 0.406200 Uiso 0.000000 Si
Si2 1.000 0.333333 0.666667 0.343700 Uiso 0.000000 Si