#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/44/1534497.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_1534497
loop_
_publ_author_name
'Leineweber, A.'
'Oeckler, O.'
'Zachwieja, U.'
_publ_section_title
;
 Static atomic displacements of Sn in disordered Ni As/Ni2 In type
 HT-Ni(1+delta) Sn
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              936
_journal_page_last               945
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ni1.523 Sn'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.1026
_cell_length_b                   4.1026
_cell_length_c                   5.1755
_cell_volume                     75.440
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Leineweber_JSSCBI_2004_869.cif
_cod_data_source_block           Ni1.523Sn1
_cod_original_cell_volume        75.43993
_cod_original_formula_sum        'Ni1.523 Sn1'
_cod_database_code               1534497
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
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-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
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Sn3 Sn 0.37112 0.74224 0.25 0.1667 0.0
Ni1 Ni 0 0 0 1 0.0
Sn2 Sn 0.3158 0.6316 0.25 0.1667 0.0
Sn1 Sn 0.3333 0.6667 0.25 0 0.0
Ni2 Ni 0.6667 0.3333 0.25 0.523 0.0
