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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007091.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_1007091
_chemical_name_systematic          'Zinc sodium catena-phosphate'
_chemical_formula_structural       'Zn Na (P O3)3'
_chemical_formula_sum              'Na O9 P3 Zn'
_publ_section_title
;
Crystal Chemistry of M(II) Ag (P O~3~)~3~ Polyphosphates for M(II) =
Zn,Co,Ni,Mg and M(II)~4~ Na~4~ (P~4~ O~12~)~3~ Tetrametaphosphates for
M(II)=Zn,Co,Ni: Crystal Structures of Zn Ag (P O~3~)~3~ and Zn~4~ Na~4~
(P~4~ O~12~)~3~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    49
_journal_year                      1983
_journal_page_first                341
_journal_page_last                 352
_cell_length_a                     14.58
_cell_length_b                     14.58
_cell_length_c                     14.58
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       3099.4
_cell_formula_units_Z              16
_symmetry_space_group_name_H-M     'I -4 3 d'
_symmetry_Int_Tables_number        220
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  '1/4+x,1/4+z,1/4+y'
  '3/4+x,1/4-z,3/4-y'
  '1/4-x,3/4-z,3/4+y'
  '3/4-x,3/4+z,1/4-y'
  'y,z,x'
  '1/2-y,-z,1/2+x'
  '1/2+y,1/2-z,-x'
  '-y,1/2+z,1/2-x'
  '1/4+z,1/4+y,1/4+x'
  '1/4-z,3/4-y,3/4+x'
  '3/4-z,3/4+y,1/4-x'
  '3/4+z,1/4-y,3/4-x'
  'z,x,y'
  '-z,1/2+x,1/2-y'
  '1/2-z,-x,1/2+y'
  '1/2+z,1/2-x,-y'
  '1/4+y,1/4+x,1/4+z'
  '3/4-y,3/4+x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4-x,3/4+z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,1/2-z'
  '1/2-x,y,-z'
  '-x,1/2-y,z'
  '3/4+x,3/4+z,3/4+y'
  '1/4+x,3/4-z,1/4-y'
  '3/4-x,1/4-z,1/4+y'
  '1/4-x,1/4+z,3/4-y'
  '1/2+y,1/2+z,1/2+x'
  '-y,1/2-z,x'
  'y,-z,1/2-x'
  '1/2-y,z,-x'
  '3/4+z,3/4+y,3/4+x'
  '3/4-z,1/4-y,1/4+x'
  '1/4-z,1/4+y,3/4-x'
  '1/4+z,3/4-y,1/4-x'
  '1/2+z,1/2+x,1/2+y'
  '1/2-z,x,-y'
  '-z,1/2-x,y'
  'z,-x,1/2-y'
  '3/4+y,3/4+x,3/4+z'
  '1/4-y,1/4+x,3/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4-y,1/4-x,1/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Zn2+   2.000
  P5+    5.000
  Na1+   1.000
  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
  Zn1   Zn2+  16 c 0.2350(2) 0.2350(2) 0.2350(2) 1.  0 d
  P1    P5+   48 e 0.3281(1) 0.3914(1) 0.1140(1) 1.  0 d
  Na1   Na1+  16 c 0.1097(8) 0.1097(8) 0.1097(8) 1.  0 d
  O1    O2-   48 e 0.0837(4) 0.0532(4) 0.4182(4) 1.  0 d
  O2    O2-   48 e 0.4767(4) 0.1096(4) 0.3838(4) 1.  0 d
  O3    O2-   48 e 0.2240(4) 0.4217(4) 0.0984(4) 1.  0 d
_refine_ls_R_factor_all            0.045
_cod_database_code 1007091
_journal_paper_doi 10.1016/S0022-4596(83)80012-7