#------------------------------------------------------------------------------
#$Date: 2016-02-20 01:53:41 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/16/2101693.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2101693
loop_
_publ_author_name
'Tanaka, K.'
'Kato, Y.'
'Onuki, Y.'
_publ_section_title
;
 4f-Electron Density Distribution in Crystals of CeB₆ at 165 K
 and its Analysis Based on the Crystal Field Theory
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              143
_journal_page_last               152
_journal_paper_doi               10.1107/S0108768196009019
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'B6 Ce'
_chemical_formula_weight         204.98
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.13814(4)
_cell_length_b                   4.13814(4)
_cell_length_c                   4.13814(4)
_cell_measurement_temperature    165
_cell_volume                     70.8623(12)
_diffrn_measurement_device       'MAC Science MXC3'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    15.996
_exptl_crystal_density_diffrn    4.80330
_exptl_crystal_description       sphere
_exptl_crystal_size_rad          0.036
_cod_data_source_file            oa0003.cif
_cod_data_source_block           oa0003a
_cod_original_cell_volume        70.863(2)
_cod_database_code               2101693
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,-z
x,-y,z
-x,y,z
-z,-x,-y
-z,x,y
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z,-x,y
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y,z,-x
-y,-x,z
y,x,z
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y,-x,-z
-x,-z,y
x,-z,-y
x,z,y
-x,z,-y
-z,-y,x
-z,y,-x
z,-y,-x
z,y,x
-x,-y,-z
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-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
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-y,-z,x
y,x,-z
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y,-x,z
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x,z,-y
-x,z,y
-x,-z,-y
x,-z,y
z,y,-x
z,-y,x
-z,y,x
-z,-y,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ce .5 .5 .5
B .0 .0 .2973(5)
