data_1006080
_chemical_name_systematic          'Ammonium trifluoromanganate(II)'
_chemical_formula_structural       '(N H4) (Mn F3)'
_chemical_formula_sum              'H4 F3 Mn N'
_publ_section_title
;
A single-crystal neutron diffraction study of N H4 Mn F3
;
loop_
_publ_author_name
  'Rubin, J'
  'Palacios, E'
  'Bartolome, J'
  'Rodriguez-Carvajal, J'
_journal_name_full                 'Journal of Physics: Condensed Matter'
_journal_coden_ASTM                JCOMEL
_journal_volume                    7
_journal_year                      1995
_journal_page_first                563
_journal_page_last                 575
_cell_length_a                     4.2364(4)
_cell_length_b                     4.2364(4)
_cell_length_c                     4.2364(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       76.0
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,z,y'
  'y,x,z'
  'z,y,x'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  'x,-z,-y'
  'y,-x,-z'
  'z,-y,-x'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,z,-y'
  '-y,x,-z'
  '-z,y,-x'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '-x,-z,y'
  '-y,-x,z'
  '-z,-y,x'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
  '-x,-z,-y'
  '-y,-x,-z'
  '-z,-y,-x'
  '-x,y,z'
  '-y,z,x'
  '-z,x,y'
  '-x,z,y'
  '-y,x,z'
  '-z,y,x'
  'x,-y,z'
  'y,-z,x'
  'z,-x,y'
  'x,-z,y'
  'y,-x,z'
  'z,-y,x'
  'x,y,-z'
  'y,z,-x'
  'z,x,-y'
  'x,z,-y'
  'y,x,-z'
  'z,y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mn2+   2.000
  F1-   -1.000
  N3-   -3.000
  H1+    1.000
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
  Mn1   Mn2+   1 a 0. 0. 0. 1.  0 d
  F1    F1-    3 d 0.5 0. 0. 1.  0 d
  N1    N3-    1 b 0.5 0.5 0.5 1.  4 d
  H1    H1+   48 n -1. -1. -1. 0.0833  0 dum
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Mn1   0.00613(75) 0. 0. 0.00613(75) 0. 0.00613(75)
  F1    0.0064(12) 0. 0. 0.02461(11) 0. 0.02461(11)
  N1    0.01566(60) 0. 0. 0.01566(60) 0. 0.01566(60)
_refine_ls_R_factor_all            0.055