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#$Date: 2020-11-09 12:59:39 +0200 (Mon, 09 Nov 2020) $
#$Revision: 259054 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010045.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010045
loop_
_publ_author_name
'Ott, H.'
_publ_section_title
;
 Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2;
 Präzisionsmessungen einiger Alkalihalogenide
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
 Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              222
_journal_page_last               230
_journal_paper_doi               10.1524/zkri.1926.63.1.222
_journal_volume                  63
_journal_year                    1926
_chemical_formula_structural     'Na Br'
_chemical_formula_sum            'Br Na'
_chemical_name_systematic        'Sodium bromide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.962(2)
_cell_length_b                   5.962(2)
_cell_length_c                   5.962(2)
_cell_volume                     211.9
_cod_depositor_comments
;
 Marked entry as being related to AMCSD entry 0016981.

 Antanas Vaitkus,
 2020-11-09

 Normalised the values of the _chemical_formula_structural and
 _chemical_name_systematic data items.

 Antanas Vaitkus,
 2020-11-09

 Updated bibliographic information.

 Antanas Vaitkus,
 2020-11-09
;
_cod_database_code               1010045
loop_
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x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
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-y,z,-x
-z,x,-y
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z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Na1 Na1+ 4 a 0. 0. 0. 1. 0 d
Br1 Br1- 4 b 0.5 0.5 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Br1- -1.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016981
