#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/01/9010119.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_9010119
loop_
_publ_author_name
'Martin, C. D.'
'Crichton, W. A.'
'Liu, H.'
'Prakapenka, V.'
'Chen, J.'
'Parise, J. B.'
_publ_section_title
;
 Rietveld structure refinement of perovskite and post-perovskite phases of
 NaMgF3 (neighborite) at high pressures
 Sample: (b), P = 54 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1703
_journal_page_last               1706
_journal_paper_doi               10.2138/am.2006.2308
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_structural     NaMgF3
_chemical_formula_sum            'F3 Mg Na'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.7145
_cell_length_b                   8.393
_cell_length_c                   6.8512
_cell_formula_units_Z            4
_cell_volume                     156.090
_database_code_amcsd             0004240
_diffrn_ambient_pressure         5.4e+07
_exptl_crystal_density_diffrn    4.438
_cod_original_cell_volume        156.089
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010119
_amcsd_formula_title             NaMgF3
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na 0.00000 0.25670 0.25000
Mg 0.00000 0.00000 0.00000
F1 0.50000 0.42420 0.25000
F2 0.50000 0.14020 0.06760
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004240
