#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (Thu 25 de Apr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/38/9003808.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_9003808
loop_
_publ_author_name
'Chen, J.'
'Liu, H.'
'Martin, C. D.'
'Parise, J. B.'
'Weidner, D. J.'
_publ_section_title
;
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 600 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1534
_journal_page_last               1539
_journal_paper_doi               10.2138/am.2005.1708
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3678
_cell_length_b                   5.4440
_cell_length_c                   7.6587
_cell_formula_units_Z            4
_cell_volume                     223.805
_database_code_amcsd             0003927
_diffrn_ambient_pressure         4e+06
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.095
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9003808
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.99300 0.02960 0.25000 0.05100
Mg 0.00000 0.50000 0.00000 0.02100
F1 0.07880 0.47830 0.25000 0.03600
F2 0.70170 0.29700 0.04080 0.03500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0003927
