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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/16/9011681.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_9011681
loop_
_publ_author_name
'Hull, S.'
'Keen, D. A.'
_publ_section_title
;
 Pressure-induced phase transitions in AgCl, AgBr, and AgI
 Sample: P = 16.1 Gpa, Phase III
;
_journal_name_full               'Physical Review B'
_journal_page_first              750
_journal_page_last               761
_journal_paper_doi               10.1103/PhysRevB.59.750
_journal_volume                  59
_journal_year                    1999
_chemical_formula_structural     AgCl
_chemical_formula_sum            'Ag Cl'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.320
_cell_length_b                   9.835
_cell_length_c                   4.108
_cell_formula_units_Z            4
_cell_volume                     134.135
_database_code_amcsd             0015212
_diffrn_ambient_pressure         1.61e+07
_exptl_crystal_density_diffrn    7.097
_cod_database_code               9011681
_amcsd_formula_title             AgCl
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag 0.00000 0.39800 0.25000 0.04813
Cl 0.00000 0.14100 0.25000 0.03166
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015212
