#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/74/1527479.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_1527479
loop_
_publ_author_name
'Hall, D.'
'Gurr, G.E.'
'Jeffrey, G.A.'
_publ_section_title
;
 Zur Kenntnis des Systems Be3 N - Si3 N4. V. A refinement of the crystal
 structure of beta-beryllium nitride
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              108
_journal_page_last               112
_journal_volume                  369
_journal_year                    1969
_chemical_formula_sum            'Be3 N2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.8413
_cell_length_b                   2.8413
_cell_length_c                   9.693
_cell_volume                     67.768
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hall_ZAACAB_1969_1232.cif
_cod_data_source_block           Be3N2
_cod_original_cell_volume        67.76775
_cod_database_code               1527479
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
N1 N-3 0 0 0 1 0.0
Be1 Be+2 0.3333 0.6667 0.071 1 0.0
N2 N-3 0.3333 0.6667 0.25 1 0.0
Be2 Be+2 0 0 0.205 0.5 0.0
