data_global
_amcsd_formula_title 'F3 H4 Mn N'
loop_
_publ_author_name
'Rubin J'
'Palacios E'
'Bartolome J'
'Rodriguez-Carvajal J'
_journal_name_full 'Journal of Physics: Condensed Matter'
_journal_volume 7 
_journal_year 1995
_journal_page_first 563
_journal_page_last 575
_publ_section_title
;
 A single-crystal neutron diffraction study of N H4 Mn F3
 _cod_database_code 1006080
;
_database_code_amcsd 0013268
_chemical_formula_sum 'Mn F3 N'
_cell_length_a 4.2364
_cell_length_b 4.2364
_cell_length_c 4.2364
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 76.031
_exptl_crystal_density_diffrn      2.751
_symmetry_space_group_name_H-M 'P m 3 m'
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'
  '-z,-x,y'
  'y,z,-x'
  '-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'
  'z,x,y'
  '-y,-z,-x'
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_
_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