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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/60/9016098.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9016098
loop_
_publ_author_name
'Aleonard, S.'
'Lambert, B.'
'Pannetier, J.'
'Gorius, M.'
'Roux, M.'
_publ_section_title
;
 Etude par diffraction neutronique de la phase Cs4-x Yb12 F40-x
 (0<= X <=1): Hypothese Structurale.
 _cod_database_code 1008347
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              226
_journal_page_last               232
_journal_paper_doi               10.1016/0022-4596(85)90239-7
_journal_volume                  58
_journal_year                    1985
_chemical_formula_sum            'Cs0.75 F9.75 Yb3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.999
_cell_length_b                   7.999
_cell_length_c                   17.096
_cell_formula_units_Z            4
_cell_volume                     947.320
_database_code_amcsd             0016258
_exptl_crystal_density_diffrn    5.638
_cod_duplicate_entry             1008347
_cod_original_formula_sum        'Yb3 Cs.75 F9.75'
_cod_database_code               9016098
_amcsd_formula_title             'Cs F13 Yb4'
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Yb1 0.51160 -0.51160 0.00230 1.00000
Yb2 0.50610 -0.50610 0.25280 1.00000
Cs1 0.00000 0.00000 0.37250 0.75000
Cs2 0.00000 0.00000 0.13080 0.75000
F1 0.49900 -0.49900 0.37950 1.00000
F2 0.51750 -0.51750 0.12460 1.00000
F3 0.21680 -0.21680 0.00100 1.00000
F4 0.16460 -0.16460 0.49750 1.00000
F5 0.83160 -0.83160 0.24490 1.00000
F6 0.21610 -0.21610 0.24440 1.00000
F7 0.33333 0.66667 0.47280 1.00000
F8 0.33333 0.66667 0.78280 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016258
