#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007266.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_1007266
_chemical_name_systematic          'Disodium potassium cyclo-triphosphate'
_chemical_formula_structural       'Na2 K (P3 O9)'
_chemical_formula_sum              'K Na2 O9 P3'
_publ_section_title
;
Structure cristalline du trimetaphosphate de sodiumpotassium: N A K P3
O9
;
loop_
_publ_author_name
  'Tordjman, I'
  'Durif, A'
  'Cavero-Ghersi, C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    30
_journal_year                      1974
_journal_page_first                2701
_journal_page_last                 2704
_cell_length_a                     6.886(2)
_cell_length_b                     9.494(3)
_cell_length_c                     6.797(2)
_cell_angle_alpha                  110.07(2)
_cell_angle_beta                   104.69(2)
_cell_angle_gamma                  86.68(2)
_cell_volume                       403.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Na1+   1.000
  P5+    5.000
  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
  K1    K1+    2 i 0.03083(8) 0.83467(5) 0.15703(8) 1.  0 d
  Na1   Na1+   2 i 0.42258(13) 0.83064(10) 0.76932(14) 1.  0 d
  Na2   Na1+   2 i 0.72064(14) 0.49042(10) 0.71917(15) 1.  0 d
  P1    P5+    2 i 0.24217(8) 0.47530(5) 0.75806(8) 1.  0 d
  P2    P5+    2 i 0.11632(7) 0.21607(5) 0.37491(8) 1.  0 d
  P3    P5+    2 i 0.45633(8) 0.19672(5) 0.71019(8) 1.  0 d
  O1    O2-    2 i 0.36536(22) 0.54832(15) 0.66739(23) 1.  0 d
  O2    O2-    2 i 0.14144(25) 0.56449(17) 0.92635(26) 1.  0 d
  O3    O2-    2 i -0.07328(22) 0.12716(17) 0.26170(27) 1.  0 d
  O4    O2-    2 i 0.23606(22) 0.25584(16) 0.24713(23) 1.  0 d
  O5    O2-    2 i 0.50473(25) 0.10071(16) 0.84681(24) 1.  0 d
  O6    O2-    2 i 0.07068(22) 0.36402(15) 0.56268(24) 1.  0 d
  O7    O2-    2 i 0.37099(23) 0.35222(15) 0.84921(22) 1.  0 d
  O8    O2-    2 i 0.25338(22) 0.12726(14) 0.52337(23) 1.  0 d
  O9    O2-    2 i 0.60946(23) 0.23183(16) 0.61269(24) 1.  0 d
_refine_ls_R_factor_all            0.018