#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/07/1510773.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_1510773
loop_
_publ_author_name
'Simon, A.'
'Mattausch, H.J.'
'Warkentin, E.'
'Oeckler, O.'
_publ_section_title
;
 Metalloktaederdoppel in den Clusterverbindungen Gd10 I16 (C2)2 und Gd10
 Br15 B2 / Tb10 Br15 B2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2117
_journal_page_last               2124
_journal_paper_doi
10.1002/1521-3749(200010)626:10<2117::AID-ZAAC2117>3.0.CO;2-H
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'B2 Br15 Tb10'
_chemical_name_systematic        'Tb10 Br15 B2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.19
_cell_angle_beta                 114.51
_cell_angle_gamma                111.1
_cell_formula_units_Z            1
_cell_length_a                   8.939
_cell_length_b                   9.788
_cell_length_c                   10.502
_cell_volume                     764.193
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_27.cif
_cod_data_source_block           B2Br15Tb10
_cod_original_cell_volume        764.1929
_cod_database_code               1510773
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
B1 B-2 0.5329 0.1829 0.1263 1 0.0
Br4 Br-1 -0.06362 0.65434 0.76993 1 0.0
Br1 Br-1 0.15758 1.05637 0.69785 1 0.0
Br3 Br-1 0.40568 0.45793 0.65372 1 0.0
Tb1 Tb+2 0.27465 0.92464 0.95095 1 0.0
Tb3 Tb+2 0.47468 0.29484 0.90271 1 0.0
Br7 Br-1 0.35764 0.11562 0.42018 1 0.0
Br2 Br-1 0.22842 0.40878 -0.05737 1 0.0
Br6 Br-1 0.11118 0.7 0.46412 1 0.0
Br8 Br-1 0 0 0 1 0.0
Tb5 Tb+2 0.19711 0.58985 0.72152 1 0.0
Tb4 Tb+2 0.32602 0.25464 0.18119 1 0.0
Br5 Br-1 0.71616 1.24082 0.81806 1 0.0
Tb2 Tb+2 0.4135 0.95954 0.67259 1 0.0
