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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511246.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_1511246
loop_
_publ_author_name
'Klesnar, H.'
'Rogl, P.'
_publ_section_title
;
 The crystal structure of Pr B N2 and isotypic compounds RE B N2 (RE= Nd,
 Sm, Gd)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              99
_journal_page_last               104
_journal_paper_doi               10.1016/0022-4596(92)90074-6
_journal_volume                  98
_journal_year                    1992
_chemical_formula_sum            'B N2 Pr'
_chemical_name_systematic        'Pr (B N2)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   12.1144
_cell_length_b                   12.1144
_cell_length_c                   7.0126
_cell_volume                     891.279
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_366.cif
_cod_data_source_block           B1N2Pr1
_cod_original_cell_volume        891.2787
_cod_original_formula_sum        'B1 N2 Pr1'
_cod_database_code               1511246
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
B1 B+3 0.4547 0.6688 0.4219 1 0.0
N2 N-3 0.6656 0.5745 0.0842 1 0.0
Pr1 Pr+3 0.4548 0.4536 0.25 1 0.0
N1 N-3 0.3276 0.5409 0.4196 1 0.0
