#------------------------------------------------------------------------------
#$Date: 2015-10-09 21:36:35 +0200 (Fri, 09 Oct 2015) $
#$Revision: 162971 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/55/1535561.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_1535561
loop_
_publ_author_name
'Moss, M.A.'
'Jeitschko, W.'
_publ_section_title
;
 Kristallstrukturen und Eigenschaften der Thorium-Nickel-Carbide Th3 Ni5
 C5 und Th2 Ni C2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              57
_journal_page_last               67
_journal_volume                  603
_journal_year                    1991
_chemical_formula_sum            'C2 Ni0.96 Th2'
_chemical_name_systematic        'Th2 Ni0.96 C2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.75
_cell_length_b                   3.75
_cell_length_c                   12.34
_cell_volume                     173.531
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Moss_ZAACAB_1991_81.cif
_cod_data_source_block           C2Ni0.96Th2
_cod_original_cell_volume        173.5312
_cod_database_code               1535561
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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
Th1 Th 0 0 0.35402 0.999 0.0
Ni1 Ni 0 0 0 0.96 0.0
C1 C 0 0 0.156 1 0.0
