#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008535.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_1008535
_chemical_name_systematic          'Ammonium manganese fluoride'
_chemical_formula_structural       '(N H4) Mn F3'
_chemical_formula_sum            'F3 H4 Mn N'
_[local]_cod_chemical_formula_sum_orig 'H4 F3 Mn N'
_publ_section_title
;
X-ray and raman study of the low temperature NH~4~MnF~3~
structure;evidence of librational motion of the NH~4~^+^
ion
;
loop_
_publ_author_name
  'Laguna, M A'
  'Sanjuan, M L'
  'Orera, V M'
  'Rubin, J'
  'Palacios, E'
  'Pique, M C'
  'Bartolome, J'
  'Berar, J F'
_journal_name_full                 'Journal of Physics: Condensed Matter'
_journal_coden_ASTM                JCOMEL
_journal_volume                    5
_journal_year                      1993
_journal_page_first                283
_journal_page_last                 300
_cell_length_a                     5.952(1)
_cell_length_b                     8.543(1)
_cell_length_c                     5.949(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       302.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  Mn2+   2.000
  F1-   -1.000
  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
  N1    N3-    4 c 0.5 0.25 0. 1.  0 d
  Mn1   Mn2+   4 a 0. 0. 0. 1.  0 d
  F1    F1-    8 d 0.278(3) 0.014(3) 0.761(2) 1.  0 d
  F2    F1-    4 c 0. 0.25 0.019(2) 1.  0 d
  H1    H1+    8 d -1. -1. -1. 2.  0 dum
_refine_ls_R_factor_all            0.059
_cod_database_code 1008535