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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/1/54/19/1541986.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_1541986
loop_
_publ_author_name
'Gallucci, J.C.'
'Gerkin, R.E.'
'Reppart, W.J.'
_publ_section_title
;
 The structure of terbium(III) bromate enneahydrate, Tb (H2 O)9 (Br O3)3
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              1141
_journal_page_last               1145
_journal_volume                  11
_journal_year                    1982
_chemical_formula_sum            'Br3 H18 O18 Tb'
_chemical_name_systematic        'Tb (Br O3)3 (H2 O)9'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.755
_cell_length_b                   11.755
_cell_length_c                   6.712
_cell_volume                     803.208
_citation_journal_id_ASTM        CSCMCS
_cod_data_source_file            Gallucci_CSCMCS_1982_1386.cif
_cod_data_source_block           H18Br3O18Tb1
_cod_original_cell_volume        803.2076
_cod_original_formula_sum        'H18 Br3 O18 Tb1'
_cod_database_code               1541986
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,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
O2 O-2 0.212 0.424 0.25 1 0.0
H1 H+1 0.3911 0.8898 -0.0433 1 0.0
H2 H+1 0.1171 0.3715 0.25 1 0.0
O1 O-2 0.42 0.84 0.0068 1 0.0
O4 O-2 0.0935 0.187 0.9491 0.5 0.0
Br1 Br+5 0.1302 0.2604 0.75 1 0.0
Tb1 Tb+3 0.3333 0.6667 0.25 1 0.0
O3 O-2 0.2925 0.3608 0.75 1 0.0
