#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007092.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_1007092
_chemical_name_systematic          'Zinc silver catena-phosphate'
_chemical_formula_structural       'Zn Ag (P O3)3'
_chemical_formula_sum              'Ag 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                     13.95
_cell_length_b                     10.735
_cell_length_c                     9.951
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1490.2
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P c c a'
_symmetry_Int_Tables_number        54
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,z'
  '1/2+x,-y,1/2-z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  '1/2+x,y,-z'
  '1/2-x,y,1/2+z'
  'x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  Zn2+   2.000
  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
  Ag1   Ag1+   8 f 0.37690(3) 0.24870(4) 0.02445(4) 1.  0 d
  Zn1   Zn2+   4 e 0.25 0.5 0.46555(5) 1.  0 d
  Zn2   Zn2+   4 a 0. 0. 0. 1.  0 d
  P1    P5+    8 f 0.14898(6) 0.04610(8) 0.23865(9) 1.  0 d
  P2    P5+    8 f 0.12635(7) 0.25085(8) 0.04840(8) 1.  0 d
  P3    P5+    8 f 0.10061(6) 0.47006(7) 0.21442(9) 1.  0 d
  O1    O2-    4 d 0.25 0. 0.2937(3) 1.  0 d
  O2    O2-    8 f 0.0919(2) 0.0833(2) 0.3579(3) 1.  0 d
  O3    O2-    8 f 0.3927(2) 0.0443(2) 0.1420(3) 1.  0 d
  O4    O2-    8 f 0.1808(2) 0.1692(2) 0.1590(3) 1.  0 d
  O5    O2-    8 f 0.2980(2) 0.3173(2) 0.4726(3) 1.  0 d
  O6    O2-    8 f 0.0558(2) 0.1740(2) 0.9737(3) 1.  0 d
  O7    O2-    8 f 0.0660(2) 0.3476(2) 0.1355(3) 1.  0 d
  O8    O2-    8 f 0.3487(2) 0.4451(2) 0.1200(3) 1.  0 d
  O9    O2-    8 f 0.1499(2) 0.4312(3) 0.3380(3) 1.  0 d
  O10   O2-    4 c 0.5 0.4686(3) 0.25 1.  0 d
_refine_ls_R_factor_all            0.024
_cod_database_code 1007092