#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/20/00/1200019.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_1200019
loop_
_publ_author_name
'Yeh, C'
'Lu, Z W'
'Froyen, S'
'Zunger, A'
_publ_section_title
;
Zinc-blende-Wurtzite polytypism in semiconductors
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   16
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              10086
_journal_page_last               10097
_journal_paper_doi               10.1103/PhysRevB.46.10086
_journal_volume                  46
_journal_year                    1992
_chemical_formula_structural     C
_chemical_formula_sum            C
_chemical_name_mineral           Lonsdaleite
_chemical_name_systematic        Carbon
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_audit_creation_date             100-06-21
_audit_creation_method           'generated by RETRIEVE 2.0'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   2.49
_cell_length_b                   2.49
_cell_length_c                   4.144
_cell_volume                     22.3
_exptl_crystal_density_meas      3.5
_cod_database_code               1200019
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
y-x,y,z
x,x-y,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
y,x,1/2+z
x-y,-y,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 C0 2 b 0.3333 0.6667 0. 1. 0 d
C2 C0 2 b 0.3333 0.6667 0.374 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
C0 0.000
