#------------------------------------------------------------------------------
#$Date: 2013-05-02 23:49:06 +0300 (Thu, 02 May 2013) $
#$Revision: 84928 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/14/1511487.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_1511487
loop_
_publ_author_name
'Nowotny, H.'
'Rogl, P.'
_publ_section_title
;
 Ternaere Komplexboride mit Th Mo B4-Typ
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              1082
_journal_page_last               1098
_journal_volume                  105
_journal_year                    1974
_chemical_formula_sum            'B4 Mo Th'
_chemical_name_systematic        'Th Mo B4'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.481
_cell_length_b                   9.658
_cell_length_c                   3.771
_cell_volume                     272.460
_citation_journal_id_ASTM        MOCHAP
_[local]_cod_data_source_file    boron4-x_117.cif
_[local]_cod_data_source_block   B4Mo1Th1
_[local]_cod_chemical_formula_sum_orig 'B4 Mo1 Th1'
_cod_original_cell_volume        272.4604
_cod_database_code               1511487
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-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
-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
B2 B 0.379 0 0.5 1 0.0
Mo1 Mo 0.1708 0 0 1 0.0
B3 B 0 0.093 0.5 1 0.0
B1 B 0.234 0.155 0.5 1 0.0
Th1 Th 0 0.3021 0 1 0.0