#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/48/9014804.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_9014804
loop_
_publ_author_name
'Hampson, G.'
'Pauling, L.'
_publ_section_title
;
 The Structure of Ammonium Heptafluozirconate and Potassium
 Heptafluozirconate and the Configuration of the Heptafluozirconate Group
 _cod_database_code 1010100
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2702
_journal_page_last               2707
_journal_paper_doi               10.1021/ja01278a046
_journal_volume                  60
_journal_year                    1938
_chemical_formula_sum            'F0.875 K0.375 Zr0.125'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.951
_cell_length_b                   8.951
_cell_length_c                   8.951
_cell_formula_units_Z            32
_cell_volume                     717.158
_database_code_amcsd             0017033
_exptl_crystal_density_diffrn    3.163
_cod_duplicate_entry             1010100
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K.375 Zr.125 F.875'
_cod_database_code               9014804
_amcsd_formula_title             'F7 K3 Zr'
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
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
-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
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
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1/2-x,y,1/2-z
1/2-x,1/2+y,-z
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1/2-y,-z,1/2-x
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_occupancy
K1 0.29000 0.29000 0.29000 0.25000
K2 0.52000 0.52000 0.52000 0.12500
Zr1 0.99000 0.99000 0.99000 0.12500
F1 0.12000 0.12000 0.12000 0.12500
F2 0.20000 0.96000 0.91000 0.06250
F3 0.77000 0.94000 0.99000 0.06250
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017033
