#------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/10/1011053.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_1011053
loop_
_publ_author_name
'Ott, H'
_publ_section_title
;
Die Gitterstruktur des Karborunds ( Si C ) I.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              515
_journal_page_last               531
_journal_volume                  61
_journal_year                    1925
_chemical_formula_structural     'Si C'
_chemical_formula_sum            'C Si'
_chemical_name_mineral           'Moissanite 6H'
_chemical_name_systematic        'Silicon carbide - II.'
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   3.095
_cell_length_b                   3.095
_cell_length_c                   15.17
_cell_volume                     125.8
_exptl_crystal_density_meas      3.12
_cod_original_formula_sum        'Si C'
_cod_database_code               1011053
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+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
C1 C4- 2 a 0. 0. 0. 1. 0 d
C2 C4- 2 b 0.3333 0.6667 0.1667 1. 0 d
C3 C4- 2 b 0.3333 0.6667 0.8333 1. 0 d
Si1 Si4+ 2 a 0. 0. 0.125 1. 0 d
Si2 Si4+ 2 b 0.3333 0.6667 0.2917 1. 0 d
Si3 Si4+ 2 b 0.3333 0.6667 0.9583 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
C4- -4.000
Si4+ 4.000
