#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/55/1525598.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_1525598
loop_
_publ_author_name
'Babizhet'sky, V.S.'
'Weitzer, F.'
'Hiebl, K.'
_publ_section_title
;
 Structural chemistry, magnetic and electrical properties of ternary
 rare-earth nickel phosphides, R20 Ni42 P30 (R = Ce, Sm)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              250
_journal_page_last               253
_journal_volume                  317
_journal_year                    2001
_chemical_formula_sum            'Ce20 Ni42 P30'
_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                   20.462
_cell_length_b                   20.462
_cell_length_c                   3.89184
_cell_volume                     1411.178
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Babizhetsky_JALCEU_2001_1210.cif
_cod_data_source_block           Ce20Ni42P30
_cod_database_code               1525598
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
P5 P 0.921 0.495 0.25 1 0.0
Ce1 Ce 0.3333 0.6667 0.25 1 0.0
Ni5 Ni 0.938 0.789 0.25 1 0.0
P1 P 0.668 0.634 0.25 1 0.0
Ni7 Ni 0.873 0.963 0.25 0.78 0.0
Ni2 Ni 0.454 0.994 0.25 1 0.0
P3 P 0.851 0.835 0.25 1 0.0
Ce2 Ce 0.2978 0.8409 0.25 1 0.0
Ni3 Ni 0.763 0.592 0.25 1 0.0
P4 P 0.888 0.666 0.25 1 0.0
Ce4 Ce 0.7161 0.9149 0.25 1 0.0
Ce3 Ce 0.5068 0.8764 0.25 1 0.0
Ni1 Ni 0.243 0.962 0.25 1 0.0
Ni6 Ni 0.976 0.634 0.25 1 0.0
P2 P 0.704 0.46 0.25 1 0.0
Ni4 Ni 0.779 0.41 0.25 1 0.0
Ni8 Ni 0.933 0.98 0.25 0.22 0.0
