#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/19/1531919.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_1531919
loop_
_publ_author_name
'le Senechal, C.'
'Babizhet'sky, V.S.'
'Guerin, R.'
'Deputier, S.'
'Pivan, J.Y.'
_publ_section_title
;
 Direct and reverse limiting series of transition metal phosphides with
 ordered defects and metal/non metal ratio close to 2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1325
_journal_page_last               1333
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ce25 Ni49 P33'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   22.6
_cell_length_b                   22.6
_cell_length_c                   3.82
_cell_volume                     1689.705
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            leSenechal_ZAACAB_2001_1.cif
_cod_data_source_block           Ce25Ni49P33
_cod_database_code               1531919
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
-y,-x,-z
-x+y,y,z
x,x-y,-z
-y,-x,z
-x+y,y,-z
x,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
Ni11 Ni 0.6 0.4 0.5 1 0.0
Ni4 Ni 0.3333 0.6667 0 1 0.0
Ni1 Ni 0.966 0.034 0.5 1 0.0
Ni12 Ni 0.034 0.966 0 1 0.0
Ce3 Ce 0.85 0.15 0 1 0.0
Ce7 Ce 0.45 0.55 0.5 1 0.0
Ce5 Ce 0.095 0.37 0.5 1 0.0
Ni2 Ni 0.43 0.395 0.5 1 0.0
Ce6 Ce 0.095 0.905 0.5 1 0.0
P4 P 0.39 0.61 0 1 0.0
Ce2 Ce 0.48 0.152 0 1 0.0
P5 P 0.545 0.455 0.5 1 0.0
Ni6 Ni 0.15 0.85 0 1 0.0
P7 P 0.905 0.095 0.5 1 0.0
P1 P 0.39 0.425 0 1 0.0
Ni9 Ni 0.337 0.034 0 1 0.0
Ni3 Ni 0.24 0.205 0.5 1 0.0
P2 P 0.215 0.25 0 1 0.0
Ni10 Ni 0.79 0.21 0.5 1 0.0
Ni8 Ni 0.16 0.033 0 1 0.0
Ni7 Ni 0.515 0.485 0 1 0.0
Ce4 Ce 0.275 0.725 0.5 1 0.0
P3 P 0.21 0.79 0 1 0.0
P6 P 0.37 0.095 0.5 1 0.0
Ce1 Ce 0.6667 0.3333 0.5 1 0.0
Ni5 Ni 0.155 0.48 0 1 0.0
P8 P 0.728 0.272 0.5 1 0.0
