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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/16/1511650.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_1511650
loop_
_publ_author_name
'Etourneau, J.'
'Naslain, R.'
'Kasper, J.S.'
_publ_section_title
;
 Structure cristalline de la phase du system bore-thorium. Un nouveau
 borure a structure type Y B66
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              101
_journal_page_last               111
_journal_paper_doi               10.1016/0022-4596(71)90013-2
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'B66.8 O0.36 Th'
_chemical_name_systematic        'Th B66.8 O.36'
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   23.53
_cell_length_b                   23.53
_cell_length_c                   23.53
_cell_volume                     13027.641
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron4-x_303.cif
_cod_data_source_block           B66.8O0.36Th1
_cod_original_cell_volume        13027.64
_cod_original_formula_sum        'B66.8 O0.36 Th1'
_cod_database_code               1511650
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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
B10 B 0.1312 0.1759 0.1971 0.79 0.0
B3 B 0 0.0389 0.1816 1 0.0
B9 B 0.0633 0.1445 0.1942 1 0.0
B8 B 0.0632 0.0779 0.1581 1 0.0
O1 O 0.25 0.25 0.25 1.1 0.0
B1 B 0 0.0377 0.0611 1 0.0
B6 B 0.0381 0.1394 0.1209 1 0.0
Th1 Th 0.6093 0.25 0.25 0.5 0.0
B5 B 0 0.1837 0.1694 1 0.0
B4 B 0 0.1466 0.2416 1 0.0
B11 B 0.2285 0.1649 0.3006 0.76 0.0
B2 B 0 0.0763 0.1169 1 0.0
B7 B 0.0392 0.0808 0.2288 1 0.0
B12 B 0.1681 0.1261 0.263 0.3 0.0
