###############################################################################
# Schulz, H.;Thiemann, K.H. (1977)
# Solid State Communications 23, 815-819
# Crystal structure refinement of Al N and Ga N
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_34476-ICSD
_database_code_ICSD                34476
_audit_creation_date               1980-01-01
_chemical_name_systematic
'Gallium nitride'
_chemical_formula_structural       
'Ga N'
_chemical_formula_sum              
'Ga1 N1'
_publ_section_title                
'Ga1 N1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Solid State Communications' 1977 23 815 819 SSCOA4
loop_
_publ_author_name
Schulz, H.;Thiemann, K.H.
_cell_length_a                     3.190(1)
_cell_length_b                     3.190(1)
_cell_length_c                     5.189(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       45.73
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_refine_ls_R_factor_all            0.026000
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
   1   '-x, -x+y, z+1/2'
   2   'x-y, -y, z+1/2'
   3   'y, x, z+1/2'
   4   'x-y, x, z+1/2'
   5   'y, -x+y, z+1/2'
   6   '-x, -y, z+1/2'
   7   'x, x-y, z'
   8   '-x+y, y, z'
   9   '-y, -x, z'
  10   '-x+y, -x, z'
  11   '-y, x-y, z'
  12   'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ga3+     3.
N3-     -3.
 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_B_iso_or_equiv
_atom_site_occupancy
Ga1 Ga3+ 2 b -.3333 -.6667 0 0.0 1.
N1 N3- 2 b -.3333 -.6667 0.377(1) 0.0 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ga1 Ga3+ 0.0052(2) 0.0052(2) 0.0027(2) 0.0026(1) 0 0
N1 N3- 0.0070(8) 0.0070(8) 0.0024(9) 0.0035(4) 0 0
#End of data_34476-ICSD