#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008466.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_1008466
_chemical_name_systematic          'Trisodium dipotassium triphosphidosilicate'
_chemical_formula_structural       'Na3 K2 Si P3'
_chemical_formula_sum              'K2 Na3 P3 Si'
_publ_section_title
;
Crystal structure of trisodium dipotassium triphosphidosilicate
;
loop_
_publ_author_name
  'Eisenmann, B'
  'Klein, J'
  'Somer, M'
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_coden_ASTM                ZEKRDZ
_journal_volume                    197
_journal_year                      1991
_journal_page_first                275
_journal_page_last                 276
_cell_length_a                     14.580(4)
_cell_length_b                     4.750(2)
_cell_length_c                     13.020(4)
_cell_angle_alpha                  90.(0)
_cell_angle_beta                   90.(0)
_cell_angle_gamma                  90.(0)
_cell_volume                       901.7
_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
  Na1+   1.000
  K1+    1.000
  Si4+   4.000
  P3-   -3.000
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+   4 c 0.55945(30) 0.25 0.4286(4) 1.  0 d
  Na2   Na1+   4 c 0.08416(40) 0.25 0.81602(40) 1.  0 d
  Na3   Na1+   4 c 0.25697(30) 0.25 0.23518(40) 1.  0 d
  K1    K1+    4 c 0.29839(20) 0.25 0.94014(20) 1.  0 d
  K2    K1+    4 c 0.51317(20) 0.25 0.13409(20) 1.  0 d
  Si1   Si4+   4 c 0.29584(20) 0.25 0.58433(20) 1.  0 d
  P1    P3-    4 c 0.14749(20) 0.25 0.60077(20) 1.  0 d
  P2    P3-    4 c 0.35939(20) 0.25 0.43257(20) 1.  0 d
  P3    P3-    4 c 0.38483(20) 0.25 0.7180(2) 1.  0 d
_refine_ls_R_factor_all            0.084