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#$Date: 2015-07-13 01:12:56 +0200 (lun 13 de jul de 2015) $
#$Revision: 148506 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/13/7221329.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_7221329
loop_
_publ_author_name
'Berroth, K.'
'Mattausch, H.J.'
'Simon, A.'
_publ_section_title
;
 Neue reduzierte Halogenide der Lanthanoide mit kondensierten Clustern:
 Tb6 Br7 und Er6 I7
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              626
_journal_page_last               630
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Br7 Tb6'
_chemical_name_systematic        'Tb6 Br7'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.59
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.571
_cell_length_b                   3.793
_cell_length_c                   11.8
_cell_volume                     757.957
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Berroth_ZNBAD2_1980_977.cif
_cod_data_source_block           Br7Tb6
_cod_original_cell_volume        757.9566
_cod_database_code               7221329
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
Br1 Br-1 0.3958 0 0.9465 1 0.0
Br2 Br-1 0.1638 0 0.8367 1 0.0
Tb3 Tb+1 0.1305 0 0.5777 1 0.0
Tb2 Tb+1 0.3171 0 0.6415 1 0.0
Tb1 Tb+1 0.7736 0 0.8469 1 0.0
Br4 Br-1 0.5 0 0.5 1 0.0
Br3 Br-1 0.0524 0 0.2701 1 0.0
