#------------------------------------------------------------------------------
#$Date: 2015-09-06 20:44:58 +0300 (Sun, 06 Sep 2015) $
#$Revision: 154992 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530032.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_1530032
loop_
_publ_author_name
'Guerin, R.'
'Potel, M.'
'Sergent, M.'
_publ_section_title
;
 Compose a structure derivee de Cr12 P7. Le nouveau phosphure ternaire Ni6
 Nb6 P9, structure et proprietes
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              177
_journal_page_last               187
_journal_volume                  78
_journal_year                    1981
_chemical_formula_sum            'Nb6 Ni6 P9'
_chemical_name_systematic        'Ni6 Nb6 P9'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.023
_cell_length_b                   10.023
_cell_length_c                   3.408
_cell_volume                     296.501
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Guerin_JCOMAH_1981_605.cif
_cod_data_source_block           Nb6Ni6P9
_cod_original_cell_volume        296.5006
_cod_database_code               1530032
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
-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
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
P3 P-3 0.6667 0.3333 0.25 1 0.0
Ni1 Ni+2 0.2154 0.1157 0.25 0.5 0.0
Ni2 Ni+2 0.2605 0.1371 0.25 0.5 0.0
P1 P-3 0.0646 0.3688 0.25 1 0.0
Nb1 Nb+2 0.354 0.4882 0.25 1 0.0
P2 P-3 0 0 0.25 0.5 0.0
