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#$Date: 2015-07-11 04:04:35 +0200 (Sat 11 de Jul de 2015) $
#$Revision: 144329 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/37/1523707.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_1523707
loop_
_publ_author_name
'Givord, D.'
'James, W.J.'
'Lemaire, R.'
'Givord, F.'
'Shah, J.S.'
_publ_section_title
;
 Evidence of disordered substitution in the Th2 Ni17-type structure. Exact
 structure determination of the Th-Ni, Y-Ni and Er-Co compounds
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              389
_journal_page_last               396
_journal_volume                  29
_journal_year                    1972
_chemical_formula_sum            'Ni17.33925 Th1.83'
_chemical_name_systematic        '(Ni18.95 Th2)0.915'
_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                   8.36
_cell_length_b                   8.36
_cell_length_c                   8.16
_cell_volume                     493.894
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Givord_JCOMAH_1972_1539.cif
_cod_data_source_block           Ni17.33925Th1.83
_cod_original_cell_volume        493.8935
_cod_database_code               1523707
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
Ni2 Ni 0.3333 0.6667 0.107 0.95 0.0
Ni3 Ni 0.5 0 0 1 0.0
Ni1 Ni 0 0 0.111 0.22 0.0
Ni5 Ni 0.291 0 0.25 0.05 0.0
Th2 Th 0.3333 0.6667 0.25 0.05 0.0
Th3 Th 0.3333 0.6667 0.75 1 0.0
Ni4 Ni 0.3332 0.9577 0.25 0.78 0.0
Ni7 Ni 0.166 0.332 0.977 0.78 0.0
Th1 Th 0 0 0.25 0.78 0.0
Ni8 Ni 0.166 0.332 0 0.22 0.0
Ni6 Ni 0.3114 0.9781 0.25 0.17 0.0
