#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/63/9006355.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_9006355
loop_
_publ_author_name
'Burns, P. C.'
'Hawthorne, F. C.'
'Hofmeister, A. M.'
'Moret, S. L.'
_publ_section_title
;
 A structural phase-transition in K(Mg1-xCux)F3 perovskite
 Sample: x = 0.700
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              141
_journal_page_last               150
_journal_volume                  23
_journal_year                    1996
_chemical_formula_structural     KMg.30Cu.70F3
_chemical_formula_sum            'Cu0.7 F3 K Mg0.3'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8018
_cell_length_b                   5.8018
_cell_length_c                   7.9006
_cell_formula_units_Z            4
_cell_volume                     265.941
_database_code_amcsd             0007937
_exptl_crystal_density_diffrn    3.693
_cod_original_formula_sum        'K (Cu.7 Mg.3) F3'
_cod_database_code               9006355
_amcsd_formula_title             KMg.30Cu.70F3
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,1/2+z
1/2-y,1/2-x,+z
y,x,1/2-z
1/2+y,1/2+x,-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,1/2+z
1/2+x,1/2-y,+z
-x,y,1/2-z
1/2-x,1/2+y,-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,1/2+z
1/2+y,1/2+x,+z
-y,-x,1/2-z
1/2-y,1/2-x,-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K 0.00000 0.00000 0.25000 1.00000
Cu 0.00000 0.50000 0.00000 0.70000
Mg 0.00000 0.50000 0.00000 0.30000
F1 0.00000 0.50000 0.25000 1.00000
F2 0.23680 0.73680 0.00000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007937
