#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/63/9006363.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_9006363
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 = 0.000
;
_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     KMgF3
_chemical_formula_sum            'F3 K Mg'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9859
_cell_length_b                   3.9859
_cell_length_c                   3.9859
_cell_formula_units_Z            1
_cell_volume                     63.326
_database_code_amcsd             0007945
_exptl_crystal_density_diffrn    3.157
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_original_formula_sum        'K Mg F3'
_cod_database_code               9006363
_amcsd_formula_title             KMgF3
loop_
_space_group_symop_operation_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
-z,x,-y
y,-z,x
-x,y,-z
x,-z,-y
-z,y,x
y,-x,-z
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z,-y,-x
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x,z,y
-z,-y,-x
y,x,z
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z,y,x
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z,x,-y
-y,-z,x
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-x,-y,z
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y,-z,-x
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z,x,y
-y,-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K 0.50000 0.50000 0.50000
Mg 0.00000 0.00000 0.00000
F 0.50000 0.00000 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007945
