#------------------------------------------------------------------------------
#$Date: 2017-02-10 14:10:13 +0100 (vie 10 de feb de 2017) $
#$Revision: 191974 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/06/8100664.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_8100664
loop_
_publ_author_name
'Demchyna, R.'
'Borrmann, Horst'
'Chykhrij, S. I.'
'Kuzma, Yu. B.'
'Grin, Yuri'
_publ_section_title
;
Crystal structure of cerium silver phosphide (1:1.08:1.90), CeAg~1.08~P~1.90~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              161
_journal_page_last               162
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Ag2.16 Ce2 P3.8'
_chemical_formula_weight         1256.85
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.0037(2)
_cell_length_b                   4.0037(2)
_cell_length_c                   20.435(1)
_cell_measurement_temperature    293
_cell_volume                     327.57(5)
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    6.3709(9)
_refine_ls_R_factor_obs          0.049
_refine_ls_wR_factor_obs         0.049
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_original_formula_sum        'Ce2 Ag2.16 P3.80'
_cod_database_code               8100664
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
' -y,x,z'
-x,-y,z
y,-x,z
-x,y,z
' y,x,z'
x,-y,z
-y,-x,z
-x,-y,-z
' y,-x,-z'
x,y,-z
-y,x,-z
x,-y,-z
-y,-x,-z
-x,y,-z
y,x,-z
1/2+x,1/2+y,1/2+z
1/2-y,1/2+x,1/2+z
1/2-x,1/2-y,1/2+z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-y,1/2-x,1/2+z
1/2-x,1/2-y,1/2-z
1/2+y,1/2-x,1/2-z
1/2+x,1/2+y,1/2-z
1/2-y,1/2+x,1/2-z
1/2+x,1/2-y,1/2-z
1/2-y,1/2-x,1/2-z
1/2-x,1/2+y,1/2-z
1/2+y,1/2+x,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ce 0.0047(5) 0.0047(5) 0.0091(7) 0 0 0
Ag1 0.0096(6) 0.0096(6) 0.0048(8) 0 0 0
P1 0.007(2) 0.007(2) 0.006(3) 0 0 0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_type_symbol
_atom_site_occupancy
Ce 0 0 0.11286(8) Uani 0.0062(3) 4 Ce 1
Ag1 0.5 0 0.25 Uani 0.0080(4) 4 Ag 1
Ag2 0 0 0.511(2) Uiso 0.008(9) 4 Ag 0.045(9)
Ag3 0.5 0 0.5 Uiso 0.004(10) 4 Ag 0.034(9)
P1 0 0 0.3381(3) Uani 0.0070(12) 4 P 1
P2 0.5 0.074(8) 0.5 Uiso 0.005(6) 8 P 0.15(3)
P3 0.337(10) 0 0.5 Uiso 0.006(5) 8 P 0.14(2)
P4 0.426(12) 0.070(12) 0.5 Uiso 0.004(7) 16 P 0.08(2)
