#------------------------------------------------------------------------------
#$Date: 2016-02-16 17:55:33 +0100 (mar 16 de feb de 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/34/8103478.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_8103478
loop_
_publ_author_name
'Simon, A.'
'Mattausch, H.J.'
_publ_section_title
;
 Crystal structure of tetrayttrium hexabromide monoboride, Y6 Br4 B
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              99
_journal_page_last               99
_journal_paper_doi               10.1524/zkri.1997.212.2.99
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'B Br6 Y4'
_chemical_name_systematic        'Y4 Br6 B'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.56
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.72
_cell_length_b                   11.113
_cell_length_c                   12.486
_cell_volume                     2437.400
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            boron0-1_91.cif
_cod_data_source_block           B1Br6Y4
_cod_original_cell_volume        2437.4
_cod_original_formula_sum        'B1 Br6 Y4'
_cod_database_code               8103478
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
B1 B-3 0.9646 0.6285 0.8935 1 0.0
Br3 Br-1 0.81878 0.3681 0.96924 1 0.0
Y3 Y+2 0.83248 0.621 0.95046 1 0.0
Y4 Y+2 0.90619 0.62279 0.68859 1 0.0
Br1 Br-1 0.89151 0.1161 0.17757 1 0.0
Br6 Br-1 0.7456 0.8798 0.25419 1 0.0
Br2 Br-1 0.88898 0.6401 0.1832 1 0.0
Br5 Br-1 0.96237 0.1216 0.89356 1 0.0
Y1 Y+2 0.03603 0.14877 0.10642 1 0.0
Y2 Y+2 0.03109 0.612 0.08962 1 0.0
Br4 Br-1 0.81799 0.8754 0.96592 1 0.0
