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#$Date: 2015-10-10 02:07:12 +0100 (Sat, 10 Oct 2015) $
#$Revision: 164210 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104108.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_8104108
loop_
_publ_author_name
'Welzl, C.'
'Schuster, H.U.'
_publ_section_title
;
 Neue ternaere Alkaliphosphide und -arsenide des Nickels
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              179
_journal_page_last               192
_journal_volume                  196
_journal_year                    1991
_chemical_formula_sum            'As7 Na2.3 Ni11.7'
_chemical_name_systematic        'Na2.3 Ni11.7 As7'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.425
_cell_length_b                   9.425
_cell_length_c                   3.748
_cell_volume                     288.332
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Welzl_ZEKRDZ_1991_2.cif
_cod_data_source_block           As7Na2.3Ni11.7
_cod_original_cell_volume        288.3321
_cod_database_code               8104108
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,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
Na3 Na+1 0.6667 0.3333 0.5 1 0.0
As1 As-3 0 0 0 1 0.0
As2 As-3 0.1144 0.4106 0.5 1 0.0
Ni3 Ni+1 0.1561 0.2796 0 1 0.0
Na1 Na+1 0.2147 0.0944 0.5 0.1 0.0
Na2 Na+1 0.3333 0.6667 0 1 0.0
As3 As-3 0.4089 0.2866 0 1 0.0
Ni2 Ni+1 0.4356 0.0528 0 1 0.0
Ni4 Ni+1 0.2147 0.0944 0.5 0.9 0.0
Ni1 Ni+1 0.3787 0.4248 0.5 1 0.0