#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010284.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_1010284
_chemical_name_systematic          'Sodium hydrogen fluoride'
_chemical_formula_structural       'Na H F2'
_chemical_formula_sum            'F2 H Na'
_[local]_cod_chemical_formula_sum_orig 'H F2 Na'
_publ_section_title
;
Die Struktur des kristallisierten Natriumhydrofluorids und die Gestalt
des Ions H F~2~^-^
;
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_[local]_cod_cif_authors_sg_H-M  'R -3 R'
loop_
_publ_author_name
  'Andersen, C C'
  'Hassel, O'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Leipzig)
;
_journal_coden_ASTM                ZPCLAH
_journal_volume                    123
_journal_year                      1926
_journal_page_first                151
_journal_page_last                 159
_cell_length_a                     5.05
_cell_length_b                     5.05
_cell_length_c                     5.05
_cell_angle_alpha                  40.03
_cell_angle_beta                   40.03
_cell_angle_gamma                  40.03
_cell_volume                       48.0
_cell_formula_units_Z              1
_exptl_crystal_density_meas        2.08
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  H1+    1.000
  F1-   -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
  H1    H1+    1 b 0.5 0.5 0.5 1.  0 d
  F1    F1-    2 c 0.41 0.41 0.41 1.  0 d