#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/70/9017051.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_9017051
loop_
_publ_author_name
'Knight, K. S.'
_publ_section_title
;
 A high-resolution powder neutron diffraction study of
 the crystal structure of neighborite (NaMgF3) between 9 and 440 K
 Note: T = 9 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              824
_journal_page_last               838
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2ab'
_space_group_name_H-M_alt        'P b n m'
_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                   5.32517
_cell_length_b                   5.47795
_cell_length_c                   7.62732
_cell_formula_units_Z            4
_cell_volume                     222.497
_database_code_amcsd             0020172
_diffrn_ambient_temperature      9
_exptl_crystal_density_diffrn    3.113
_cod_data_source_file            inputs/fixed/downloads/05/05772.cif
_cod_data_source_block           05772
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9017051
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 0.08750 0.54970 0.25000 0.00498
Mg 0.00000 0.00000 0.00000 0.00045
F1 0.09310 0.96990 0.25000 0.00205
F2 0.29816 0.20414 0.95143 0.00258
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020172
