#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015478.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_9015478
loop_
_publ_author_name
'Rubin, J.'
'Palacios, E.'
'Bartolome, J.'
'Rodriguez-Carvajal J'
_publ_section_title
;
 A single-crystal neutron diffraction study of N H4 Mn F3
 _cod_database_code 1006080
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              563
_journal_page_last               575
_journal_paper_doi               10.1088/0953-8984/7/3/011
_journal_volume                  7
_journal_year                    1995
_chemical_formula_sum            'F3 Mn N'
_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                   4.2364
_cell_length_b                   4.2364
_cell_length_c                   4.2364
_cell_formula_units_Z            1
_cell_volume                     76.031
_database_code_amcsd             0013268
_exptl_crystal_density_diffrn    2.751
_cod_duplicate_entry             1006080
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_original_formula_sum        'Mn F3 N'
_cod_database_code               9015478
_amcsd_formula_title             'F3 H4 Mn N'
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
-x,z,y
z,-y,-x
-y,x,z
x,z,y
-z,-y,-x
y,x,z
-x,-z,-y
z,y,x
-y,-x,-z
z,x,-y
-y,-z,x
x,y,-z
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y,z,-x
-x,-y,z
-z,x,y
y,-z,-x
-x,y,z
z,-x,-y
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x,-y,-z
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z,-y,x
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x,-z,y
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y,-x,z
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x,z,-y
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y,x,-z
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y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn1 0.00613 0.00613 0.00613 0.00000 0.00000 0.00000
F1 0.00640 0.02461 0.02461 0.00000 0.00000 0.00000
N1 0.01566 0.01566 0.01566 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 0.00000 0.00000 0.00000
F1 0.50000 0.00000 0.00000
N1 0.50000 0.50000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013268
