#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010487.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_1010487
_chemical_name_systematic          'Sodium hydrogen difluoride'
_chemical_formula_structural       'Na H F2'
_chemical_formula_sum              'H F2 Na'
_publ_section_title
;
Ueber feinbauliche Versuche zur Konstitution des Natriumhydrofluorids
unter Verwendung der Atombereiche und ueber die roentgenographische
Erforschung dieser Verbindung.
;
loop_
_publ_author_name
  'Rinne, F'
  'Hentschel, H'
  'Leonhardt, J'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    58
_journal_year                      1923
_journal_page_first                629
_journal_page_last                 640
_cell_length_a                     5.17(5)
_cell_length_b                     5.17(5)
_cell_length_c                     5.17(5)
_cell_angle_alpha                  39.73(5)
_cell_angle_beta                   39.73(5)
_cell_angle_gamma                  39.73(5)
_cell_volume                       50.8
_cell_formula_units_Z              1
_exptl_crystal_density_meas        2.09
_symmetry_space_group_name_H-M     'R -3 m R'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,z'
  'y,z,x'
  'x,z,y'
  'z,x,y'
  'z,y,x'
  '-x,-y,-z'
  '-y,-x,-z'
  '-y,-z,-x'
  '-x,-z,-y'
  '-z,-x,-y'
  '-z,-y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  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
  Na1   Na1+   1 a 0. 0. 0. 1.  0 d
  F1    F1-    2 c 0.4167 0.4167 0.4167 1.  1 d
  H1    H1+    1 b 0.5 0.5 0.5 1.  0 d