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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103932.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_8103932
loop_
_publ_author_name
'Mattausch, H.J.'
'Simon, A.'
_publ_section_title
;
 Crystal structure of tricerium hexabromide nitride, Ce3 Br6 N
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              397
_journal_page_last               397
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Br6 Ce3 N'
_chemical_name_systematic        'Ce3 Br6 N'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.112
_cell_length_b                   11.724
_cell_length_c                   17.02
_cell_volume                     2217.316
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Mattausch_ZEKRDZ_1996_1898.cif
_cod_data_source_block           Br6Ce3N1
_cod_original_formula_sum        'Br6 Ce3 N1'
_cod_database_code               8103932
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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
Ce2 Ce+3 0.3457 -0.03756 0.17322 1 0.0
Br6 Br-1 0.53277 -0.31279 0.37464 1 0.0
Ce1 Ce+3 0.13695 0.02056 0.44057 1 0.0
Br5 Br-1 0.16571 0.21196 0.19057 1 0.0
Br3 Br-1 0.10503 -0.08644 0.27389 1 0.0
Br4 Br-1 0.64024 -0.03176 0.44553 1 0.0
Br1 Br-1 0.25594 -0.21535 0.45421 1 0.0
Ce3 Ce+3 0.0102 0.21928 0.05025 1 0.0
N1 N-3 0.54942 0.0904 -0.05892 1 0.0
Br2 Br-1 0.36816 0.06256 0.33837 1 0.0
