#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011019.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_1011019
_chemical_name_systematic          'Sodium tripotassium sulfate'
_chemical_name_mineral             'Aphthitalite'
_chemical_formula_structural       'Na K3 (S O4)2'
_chemical_formula_sum              'K3 Na O8 S2'
_publ_section_title
;
Ueber die Kristallstruktur von Glaserit und Kaliumsulfat.
;
_publ_author_name                  'Gossner, B'
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie, Geologie und Palaeontologie. Beilage (-
1925)
;
_journal_coden_ASTM                NJMBLA
_journal_volume                    57
_journal_year                      1928
_journal_page_first                89
_journal_page_last                 116
_cell_length_a                     5.65(2)
_cell_length_b                     5.65(2)
_cell_length_c                     7.29(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       201.5
_cell_formula_units_Z              1
_exptl_crystal_density_meas        2.7
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  K1+    1.000
  S6+    6.000
  O2-   -2.000
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
  K1    K1+    1 b 0. 0. 0.5 1.  0 d
  K2    K1+    2 d 0.6667 0.3333 0.875 1.  0 d
  S1    S6+    2 d 0.6667 0.3333 0.27 1.  0 d
  O1    O2-    2 d 0.6667 0.3333 0.46 1.  0 d
  O2    O2-    6 i 0.2 -0.2 0.2 1.  0 d