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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103930.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_8103930
loop_
_publ_author_name
'Mattausch, H.J.'
'Simon, A.'
_publ_section_title
;
 Crystal structure of digadolinium tribromide nitride Gd2 Br3 N
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              399
_journal_page_last               399
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Br3 Gd2 N'
_chemical_name_systematic        'Gd2 Br3 N'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.97
_cell_angle_beta                 103.72
_cell_angle_gamma                98.61
_cell_formula_units_Z            4
_cell_length_a                   8.266
_cell_length_b                   8.288
_cell_length_c                   10.255
_cell_volume                     634.412
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Mattausch_ZEKRDZ_1996_1897.cif
_cod_data_source_block           Br3Gd2N1
_cod_original_cell_volume        634.4116
_cod_original_formula_sum        'Br3 Gd2 N1'
_cod_database_code               8103930
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
N2 N-3 -0.8999 1.0282 0.14629 1 0.0
Gd4 Gd+3 0.15525 0.92083 0.93952 1 0.0
Br1 Br-1 -0.26828 0.759 0.11807 1 0.0
N1 N-3 -0.6517 1.0235 0.40618 1 0.0
Gd2 Gd+3 -0.42611 0.91879 0.35723 1 0.0
Gd1 Gd+3 0.09699 0.83755 0.27069 1 0.0
Br2 Br-1 0.53369 0.14066 0.17182 1 0.0
Br3 Br-1 0.28351 0.68418 0.08924 1 0.0
Br4 Br-1 0.42723 0.42908 0.63352 1 0.0
Gd3 Gd+3 0.29831 0.24241 0.3244 1 0.0
Br5 Br-1 0.04402 0.44347 0.25325 1 0.0
Br6 Br-1 0.07196 0.84323 0.56288 1 0.0
