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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007926.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_9007926
loop_
_publ_author_name
'Maley, I. J.'
'Parsons, S.'
'Pulham, C. R.'
_publ_section_title
;
 Lead(IV) chloride at 150 K
 Note: sample at T = 150 K
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i79
_journal_page_last               i81
_journal_paper_doi               10.1107/S1600536802015064
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     PbCl4
_chemical_formula_sum            'Cl4 Pb'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.83
_cell_angle_gamma                90
_cell_length_a                   10.542
_cell_length_b                   5.359
_cell_length_c                   11.958
_cell_formula_units_Z            4
_cell_volume                     608.067
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    3.812
_cod_original_formula_sum        'Pb Cl4'
_cod_database_code               9007926
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,-y,z
+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,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
Pb 0.01870 0.01840 0.01590 0.00000 0.00550 0.00000
Cl1 0.02190 0.02800 0.02390 -0.00450 0.00510 -0.00330
Cl2 0.03030 0.02700 0.02580 -0.00150 0.01300 0.00440
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.75000 0.25755 0.00000 0.01840
Cl1 0.55870 0.00500 -0.12920 0.02630
Cl2 0.81460 0.50920 -0.12920 0.02750
_cod_duplicate_entry 2201719
