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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/2/31/09/2310946.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_2310946
loop_
_publ_author_name
'Ogren, J.R.'
'Ellis, T.G.'
'Smith, J.F.'
_publ_section_title
;
 The structure of Nb6 Sn5
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              968
_journal_page_last               973
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'Nb6 Sn5'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.656
_cell_length_b                   9.199
_cell_length_c                   16.843
_cell_volume                     876.334
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ogren_ACCRA9_1965_859.cif
_cod_data_source_block           Nb6Sn5
_cod_original_cell_volume        876.3337
_cod_database_code               2310946
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+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
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
Sn3 Sn 0.5 0 0.7061 1 0.0
Nb2 Nb 0 0.273 0.0853 1 0.0
Nb3 Nb 0 0 0.3469 1 0.0
Nb4 Nb 0.236 0 0 1 0.0
Sn4 Sn 0 0 0.1682 0.92 0.0
Sn2 Sn 0.256 0.5 0 1 0.0
Sn1 Sn 0 0.3073 0.3957 1 0.0
Nb1 Nb 0.25 0.25 0.25 1 0.0
