#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103602.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_8103602
loop_
_publ_author_name
'Woller, K.H.'
'Heller, G.'
_publ_section_title
;
 Roentgenstrukturanalysen an wasserhaltigen Thalliumpolyboraten I. Die
 Struktur von Tl2 (B4 O6 (O H)2) (H2 O)2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              151
_journal_page_last               157
_journal_volume                  156
_journal_year                    1981
_chemical_formula_sum            'B4 H6 O10 Tl2'
_chemical_name_systematic        'Tl2 (B4 O6 (O H)2) (H2 O)2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.909
_cell_length_b                   9.762
_cell_length_c                   9.45
_cell_volume                     1006.365
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Woller_ZEKRDZ_1981_423.cif
_cod_data_source_block           H6B4O10Tl2
_cod_original_formula_sum        'H6 B4 O10 Tl2'
_cod_database_code               8103602
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,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
B2 B+3 0.247 -0.078 0.184 1 0.0
O5 O-2 0.134 -0.163 0.175 1 0.0
Tl1 Tl+1 0.48022 0.0414 -0.0741 1 0.0
O4 O-2 0.245 -0.01 0.562 1 0.0
B1 B+3 0.319 -0.006 0.436 1 0.0
O8 O-2 0.501 -0.314 0.308 1 0.0
O6 O-2 0.354 -0.177 0.185 1 0.0
O9 O-2 -0.235 0.076 0.497 1 0.0
O1 O-2 0.247 0.005 0.309 1 0.0
Tl2 Tl+1 0.2397 0.2478 0.1982 1 0.0
O7 O-2 0.537 0.261 0.568 1 0.0
O2 O-2 0.413 0.103 0.44 1 0.0
B3 B+3 0.437 0.178 0.558 1 0.0
O3 O-2 0.39 -0.142 0.433 1 0.0
O10 O-2 -0.095 0.109 0.122 1 0.0
B4 B+3 0.413 -0.206 0.303 1 0.0
