#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/13/1511373.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_1511373
loop_
_publ_author_name
'Penin, N.'
'Touboul, M.'
'Nowogrocki, G.'
_publ_section_title
;
 Crystal structure of two new sodium borates Na3 B7 O12 and Na2 Tl2 B10
 O17
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              104
_journal_page_last               111
_journal_volume                  363
_journal_year                    2004
_chemical_formula_sum            'B10 Na2 O17 Tl2'
_chemical_name_systematic        'Na2 Tl2 (B10 O17)'
_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                 105.897
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.711
_cell_length_b                   6.446
_cell_length_c                   10.952
_cell_volume                     1474.105
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron0-1_511.cif
_cod_data_source_block           B10Na2O17Tl2
_cod_database_code               1511373
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 0.0546 0.6772 0.7343 1 0.0
O3 O-2 0.0827 0.8285 0.8154 1 0.0
B5 B+3 0.1816 0.4169 0.5 1 0.0
O1 O-2 0 0.5816 0.75 1 0.0
O9 O-2 0.185 0.5698 0.4137 1 0.0
B3 B+3 0.1525 0.8661 0.84 1 0.0
O7 O-2 0.1803 0.7705 0.7479 1 0.0
O6 O-2 0.1747 0.4698 0.6156 1 0.0
B2 B+3 0.1431 0.6684 0.635 1 0.0
Na1 Na+1 0.2321 0.053 0.6839 1 0.0
B4 B+3 0.1621 0.7684 0.4279 1 0.0
O2 O-2 0.0777 0.6078 0.6395 1 0.0
O8 O-2 0.1822 0.2123 0.4711 1 0.0
O5 O-2 0.1653 0.9095 0.3373 1 0.0
Tl1 Tl+1 0.06513 0.19141 0.57983 1 0.0
O4 O-2 0.1375 0.81 0.5255 1 0.0
