#------------------------------------------------------------------------------
#$Date: 2015-10-09 13:32:48 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161804 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/48/1534801.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_1534801
loop_
_publ_author_name
'Guerin, R.'
'Ghadraoui, E.G.E.'
'Pivan, J.Y.'
'Sergent, M.'
'Padiou, J.'
_publ_section_title
;
 Nouveau type structural dans la chimie des phosphures: Le compose
 ternaire Ni20 Zr6 P13. Preparation, structure et proprietes.
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1257
_journal_page_last               1270
_journal_volume                  19
_journal_year                    1984
_chemical_formula_sum            'Ni12 P7 Zr2'
_chemical_name_systematic        'Ni12 Zr2 P7'
_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                   8.994
_cell_length_b                   8.994
_cell_length_c                   3.575
_cell_volume                     250.445
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Guerin_MRBUAC_1984_341.cif
_cod_data_source_block           Ni12P7Zr2
_cod_original_cell_volume        250.4451
_cod_database_code               1534801
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
P2 P 0.707 0.5863 0 1 0.0
P1 P 0.2901 0.4113 0.5 1 0.0
Zr2 Zr 0.3333 0.6667 0 1 0.0
Ni4 Ni 0.7219 0.8416 0 1 0.0
Ni3 Ni 0.2186 0.1261 0.5 1 0.0
Zr1 Zr 0.6667 0.3333 0.5 1 0.0
Ni1 Ni 0.047 0.4351 0.5 1 0.0
Ni2 Ni 0.9399 0.566 0 1 0.0
P3 P 0 0 0 1 0.0
