#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/16/9011693.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_9011693
loop_
_publ_author_name
'Hull, S.'
'Keen, D. A.'
_publ_section_title
;
 Pressure-induced phase transitions in AgCl, AgBr, and AgI
 Sample: P = 0.0 GPa, Phase II'
;
_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_compound_source        Synthetic
_chemical_formula_sum            'Ag I'
_chemical_name_mineral           Miersite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.4991
_cell_length_b                   6.4991
_cell_length_c                   6.4991
_cell_formula_units_Z            4
_cell_volume                     274.511
_database_code_amcsd             0015224
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    5.681
_cod_database_code               9011693
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-z,x,-y
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1/2-z,x,1/2-y
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-y,1/2+z,1/2-x
1/2-y,z,1/2-x
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-x,y,-z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
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x,-z,-y
x,1/2-z,1/2-y
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1/2+x,1/2-z,-y
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z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
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y,1/2-x,1/2-z
1/2+y,-x,1/2-z
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1/2+z,1/2+y,x
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z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
y,z,x
y,1/2+z,1/2+x
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1/2+y,1/2+z,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag 0.25000 0.25000 0.25000 0.08232
I 0.00000 0.00000 0.00000 0.07092
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015224
