#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011053.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
_chemical_name_systematic          'Silicon carbide - II.'
_chemical_name_mineral             'Moissanite 6H'
_chemical_formula_structural       'Si C'
_chemical_formula_sum              'Si'
_publ_section_title
;
Die Gitterstruktur des Karborunds ( Si C ) I.
;
loop_
_publ_author_name                  'Ott, H'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    61
_journal_year                      1925
_journal_page_first                515
_journal_page_last                 531
_cell_length_a                     3.095
_cell_length_b                     3.095
_cell_length_c                     15.17
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       125.8
_cell_formula_units_Z              6
_exptl_crystal_density_meas        3.12
_symmetry_space_group_name_H-M     'P 63'
_symmetry_Int_Tables_number        173
_symmetry_cell_setting             hexagonal
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_type_symbol
_atom_type_oxidation_number
  C4-   -4.000
  Si4+   4.000
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