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#$Date: 2013-11-26 15:37:51 +0200 (Tue, 26 Nov 2013) $
#$Revision: 91022 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/00/1000097.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_1000097
_chemical_name_systematic          'Ammonium trifluorocadmate - low'
_chemical_formula_structural       '(N H4) (Cd F3)'
_chemical_formula_sum            'Cd F3 H4 N'
_[local]_cod_chemical_formula_sum_orig 'H4 Cd F3 N'
_publ_section_title
;
NH~4~CdF~3~: Structure of the low temperature phase
;
loop_
_publ_author_name
  'Le Bail, A'
  'Fourquet, J L'
  'Rubin, J'
  'Palacios, E'
  'Bartolome, J'
_journal_name_full                 'Physica B (152, 1988-)'
_journal_coden_ASTM                PHYBE3
_journal_volume                    162
_journal_year                      1990
_journal_page_first                231
_journal_page_last                 236
_cell_length_a                     6.1791(14)
_cell_length_b                     8.8786(6)
_cell_length_c                     6.1655(14)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       338.3
_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
  Cd2+   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.  4 d
  Cd1   Cd2+   4 a 0. 0. 0. 1.  0 d
  F1    F1-    8 d 0.2848(7) 0.0216(16) 0.7851(44) 1.  0 d
  F2    F1-    4 c -0.013(10) 0.25 0.0388(34) 1.  0 d
_refine_ls_R_factor_all            0.029
_cod_database_code 1000097