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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007200.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_1007200
_chemical_name_systematic
;
Nonasilver sodium cyclo-octaphosphate bis(nitrate) tetrahydrate
;
_chemical_formula_structural       'Ag9 Na (P8 O24) (N O3)2 (H2 O)4'
_chemical_formula_sum            'Ag9 H8 N2 Na O34 P8'
_[local]_cod_chemical_formula_sum_orig 'H8 Ag9 N2 Na O34 P8'
_publ_section_title
;
Structure of nonasilver sodium cyclooctaphosphate dinitrate
tetrahydrate: Ag~9~NaP~8~O~24~(NO~3~)~2~ . 4H~2~O
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    48
_journal_year                      1992
_journal_page_first                1173
_journal_page_last                 1176
_cell_length_a                     17.254(5)
_cell_length_b                     7.543(1)
_cell_length_c                     23.465(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       3053.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c m'
_symmetry_Int_Tables_number        63
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  'x,y,1/2-z'
  'x,-y,1/2+z'
  '-x,-y,-z'
  '-x,y,z'
  '-x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  Na1+   1.000
  P5+    5.000
  O2-   -2.000
  N5+    5.000
  H1+    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
  Ag1   Ag1+   8 f 0. 0.3385(1) 0.03390(4) 1.  0 d
  Ag2   Ag1+  16 h 0.21658(5) 0.3718(1) 0.14692(3) 1.  0 d
  Ag3   Ag1+   8 g 0.38723(8) 0.2476(2) 0.25 1.  0 d
  Ag4   Ag1+   8 e 0.3160(1) 0. 0. 0.5  0 d
  Na1   Na1+   8 e 0.3160(1) 0. 0. 0.5  0 d
  P1    P5+   16 h 0.1376(1) 0.0385(3) 0.43819(8) 1.  0 d
  P2    P5+   16 h 0.4160(1) 0.2084(2) 0.38980(7) 1.  0 d
  O1    O2-   16 h 0.1192(4) 0.2272(8) 0.0765(2) 1.  0 d
  O2    O2-    8 e 0.1012(4) 0. 0. 1.  0 d
  O3    O2-   16 h 0.4166(3) 0.4188(7) 0.3990(2) 1.  0 d
  O4    O2-   16 h 0.2816(3) 0.4734(9) 0.0650(2) 1.  0 d
  O5    O2-   16 h 0.4128(4) 0.1185(8) 0.0533(2) 1.  0 d
  O6    O2-   16 h 0.3582(4) 0.1593(8) 0.1541(2) 1.  0 d
  O7    O2-    8 f 0.5 0.1843(9) 0.3612(3) 1.  0 d
  N1    N5+    8 g 0.1828(6) 0.152(1) 0.25 1.  0 d
  O8    O2-    8 g 0.2096(8) 0.305(2) 0.25 1.  0 d
  O9    O2-   16 h 0.1701(5) 0.077(1) 0.2043(3) 1.  0 d
  O10   O2-    8 f 0. 0.239(1) 0.1692(4) 1.  2 d
  O11   O2-    4 c 0. 0.958(2) 0.25 1.  2 d
  O12   O2-    4 c 0. 0.522(2) 0.25 1.  2 d
  H1    H1+   16 h -1. -1. -1. 2.  0 dum
_refine_ls_R_factor_all            0.044
_cod_database_code 1007200