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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/10/2311000.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2311000
loop_
_publ_author_name
'Baenziger, N.C.'
'Rundle, R.E.'
_publ_section_title
;
 The M Be13 compounds
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              258
_journal_page_last               258
_journal_volume                  2
_journal_year                    1949
_chemical_formula_sum            'Be13 Th'
_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            8
_cell_length_a                   10.395
_cell_length_b                   10.395
_cell_length_c                   10.395
_cell_volume                     1123.242
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Baenziger_ACCRA9_1949_1198.cif
_cod_data_source_block           Be13Th1
_cod_original_cell_volume        1123.243
_cod_original_formula_sum        'Be13 Th1'
_cod_database_code               2311000
loop_
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x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x,-y,-z
y+1/2,x,-z
-x+1/2,y+1/2,-z
-y,-x+1/2,-z
z,x,y
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x,-z+1/2,y
z,-x,-y
x+1/2,z,-y
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y,z,x
y,-z+1/2,-x+1/2
z,y,-x+1/2
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z,-y,x+1/2
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x-1/2,y-1/2,-z
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z-1/2,x-1/2,-y
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z-1/2,-x-1/2,y
x,z-1/2,y
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z-1/2,-y-1/2,-x-1/2
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z-1/2,-x,y+1/2
x,z,y+1/2
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z-1/2,y+1/2,x+1/2
y,z+1/2,-x+1/2
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x+1/2,y,z+1/2
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y,-z+1/2,x-1/2
z,y+1/2,x
y+1/2,z+1/2,-x
-z+1/2,y+1/2,-x-1/2
z,-y,-x-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
Be2 Be 0 0.112 0.178 1 0.0
Th1 Th 0.25 0.25 0.25 1 0.0
Be1 Be 0 0 0 1 0.0
