#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu 27 de Sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/32/1523258.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_1523258
loop_
_publ_author_name
'Bitti, R. R.'
'Cascioli, V.'
_publ_section_title
;
 A new NiAs type phase obtained by simultaneous evaporation of Ni and Tl
;
_journal_issue                   10
_journal_name_full               'Scripta Metallurgica'
_journal_page_first              731
_journal_page_last               733
_journal_paper_doi               10.1016/0036-9748(69)90223-3
_journal_volume                  3
_journal_year                    1969
_chemical_formula_sum            'Ni Tl'
_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                   4.426
_cell_length_b                   4.426
_cell_length_c                   5.535
_cell_volume                     93.901
_citation_journal_id_ASTM        SCRMBU
_cod_data_source_file            Bitti_SCRMBU_1969_1551.cif
_cod_data_source_block           Ni1Tl1
_cod_original_cell_volume        93.90119
_cod_original_formula_sum        'Ni1 Tl1'
_cod_database_code               1523258
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
Tl1 Tl 0.3333 0.6667 0.25 1 0.0
Ni1 Ni 0 0 0 1 0.0
