#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/60/2106046.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_2106046
loop_
_publ_author_name
'Frank, K.'
'Schubert, K.'
_publ_section_title
;
 Kristallstruktur von Ni31 Si12
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              916
_journal_page_last               920
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Ni31 Si12'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.671
_cell_length_b                   6.671
_cell_length_c                   12.288
_cell_volume                     473.580
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Frank_ACBCAR_1971_1849.cif
_cod_data_source_block           Ni31Si12
_cod_original_cell_volume        473.5804
_cod_database_code               2106046
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-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
Ni3 Ni 0.33333 0.66667 0.0717 1 0.0
Ni1 Ni 0 0 0.5 1 0.0
Ni5 Ni 0.413 0.079 0.0964 1 0.0
Ni4 Ni 0.33333 0.66667 0.5667 1 0.0
Si4 Si 0.682 0 0 1 0.0
Ni8 Ni 0.627 0.936 0.4046 1 0.0
Si1 Si 0 0 0.287 1 0.0
Ni6 Ni 0.664 0.962 0.1983 1 0.0
Si2 Si 0.33333 0.66667 0.275 1 0.0
Si3 Si 0.33333 0.66667 0.774 1 0.0
Ni7 Ni 0.358 0.034 0.3065 1 0.0
Si5 Si 0.349 0 0.5 1 0.0
Ni2 Ni 0 0 0.0951 1 0.0
