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#$Date: 2015-10-09 16:05:19 +0200 (vie 09 de oct de 2015) $
#$Revision: 162257 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/50/1535073.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_1535073
loop_
_publ_author_name
'Mattausch, H.J.'
'Simon, A.'
_publ_section_title
;
 Rare earth metal boride carbide bromides. A system of building blocks
;
_journal_name_full               'Angewandte Chemie (Edition international)'
_journal_page_first              1633
_journal_page_last               1635
_journal_volume                  34
_journal_year                    1995
_chemical_formula_sum            'C4 B2 Br6 Gd8'
_chemical_name_systematic        'Gd8 B2 C4 Br6'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.68
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.547
_cell_length_b                   3.693
_cell_length_c                   12.445
_cell_volume                     420.312
_citation_journal_id_ASTM        ACIEAY
_cod_data_source_file            Mattausch_ACIEAY_1995_1773.cif
_cod_data_source_block           C4B2Br6Gd8
_cod_original_cell_volume        420.3118
_cod_database_code               1535073
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
C1 C 0.5491 0.25 0.633 1 0.0
C2 C 0.3704 0.25 0.1049 1 0.0
Gd3 Gd 0.28127 0.25 0.26642 1 0.0
Br2 Br 0.13579 0.25 0.44429 1 0.0
Br1 Br 0.96861 0.25 0.86783 1 0.0
Br3 Br 0.21356 0.75 0.72829 1 0.0
Gd4 Gd 0.75944 0.25 1.02066 1 0.0
Gd2 Gd 0.45649 0.25 0.80578 1 0.0
Gd1 Gd 0.62661 0.25 0.45955 1 0.0
B1 B 0.4647 0.25 0.0217 1 0.0
