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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/2/10/64/2106488.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_2106488
loop_
_publ_author_name
'Brandon, J.K.'
'Pearson, W.B.'
'Tozer, D.J.N.'
_publ_section_title
;
 A single-crystal X-ray diffraction of the zeta bronze structure, Cu20 Sn6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              774
_journal_page_last               779
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cu20 Sn6'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.33
_cell_length_b                   7.33
_cell_length_c                   7.864
_cell_volume                     365.917
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Brandon_ACBCAR_1975_1941.cif
_cod_data_source_block           Cu20Sn6
_cod_original_cell_volume        365.9166
_cod_database_code               2106488
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,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
Cu2 Cu 0.6667 0.3333 -0.09 1 0.0
Sn1 Sn 0.68 -0.02 0.25 1 0.0
Cu3 Cu 0.6472 -0.0179 -0.0845 1 0.0
Cu6 Cu 0.6667 0.3333 0.245 1 0.0
Cu1 Cu 0 0 -0.0223 1 0.0
Cu4 Cu 0.3333 0.6667 0.0737 1 0.0
Cu5 Cu 0.3574 0.035 0.0831 1 0.0
