#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/00/2020033.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_2020033
loop_
_publ_author_name
'Fornasini, M.L.'
_publ_section_title
;
 Structural redetermination of the Th Ni phase
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              946
_journal_page_last               947
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Ni Th'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.146
_cell_length_b                   4.286
_cell_length_c                   5.702
_cell_volume                     345.711
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Fornasini_ACSCEE_1983_1531.cif
_cod_data_source_block           Ni1Th1
_cod_original_cell_volume        345.7108
_cod_original_formula_sum        'Ni1 Th1'
_cod_database_code               2020033
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Th1 Th 0.2847 0.25 0.5366 1 0.0
Ni2 Ni 0.105 0.25 0.256 1 0.0
Th2 Th 0.0344 0.25 0.7479 1 0.0
Ni1 Ni 0.3543 0.25 0.031 1 0.0
