#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007223.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_1007223
_chemical_name_systematic
;
Dicaesium dihydrogendiphosphate - telluric acid (1/1)
;
_chemical_formula_structural       '(Cs2 (H2 P2 O7)) (Te (O H)6)'
_chemical_formula_sum              'H8 Cs2 O13 P2 Te'
_publ_section_title
;
Cs~2~H~2~P~2~O~7~.Te(OH)~6~, a new adduct between a diphosphate
andtelluric acid
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M - T'
  'Durif, A'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    30
_journal_year                      1993
_journal_page_first                1153
_journal_page_last                 1162
_cell_length_a                     20.518(7)
_cell_length_b                     8.372(3)
_cell_length_c                     16.652(6)
_cell_angle_alpha                  90
_cell_angle_beta                   106.55(3)
_cell_angle_gamma                  90
_cell_volume                       2741.9
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te6+   6.000
  Cs1+   1.000
  P5+    5.000
  O2-   -2.000
  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
  Te1   Te6+   8 f 0.87070(1) 0.46995(3) 0.57284(1) 1.  0 d
  Cs1   Cs1+   8 f 0.84289(1) 0.97317(4) 0.54630(2) 1.  0 d
  Cs2   Cs1+   8 f 0.58922(2) 0.15645(4) 0.16894(2) 1.  0 d
  P1    P5+    8 f 0.18934(5) 0.1797(1) 0.21213(6) 1.  0 d
  P2    P5+    8 f 0.04472(5) 0.1402(2) 0.13130(7) 1.  0 d
  O1    O2-    8 f 0.0637(2) 0.4786(4) 0.3223(2) 1.  1 d
  O2    O2-    8 f 0.1924(1) 0.3737(4) 0.4113(2) 1.  1 d
  O3    O2-    8 f 0.3367(1) 0.1883(4) 0.1341(2) 1.  1 d
  O4    O2-    8 f 0.4095(2) 0.1261(4) 0.5152(2) 1.  1 d
  O5    O2-    8 f 0.1963(2) 0.4275(4) 0.0305(2) 1.  1 d
  O6    O2-    8 f 0.4308(2) 0.1941(4) 0.0570(2) 1.  1 d
  O7    O2-    8 f 0.2032(1) 0.1661(4) 0.1288(2) 1.  0 d
  O8    O2-    8 f 0.1929(2) 0.3470(5) 0.2481(2) 1.  0 d
  O9    O2-    8 f 0.2342(2) 0.0721(6) 0.2812(2) 1.  0 d
  O10   O2-    8 f 0.1145(2) 0.1137(5) 0.2047(2) 1.  0 d
  O11   O2-    8 f 0.0425(2) 0.3008(5) 0.0919(2) 1.  0 d
  O12   O2-    8 f 0.4566(2) 0.5022(5) 0.4293(3) 1.  0 d
  O13   O2-    8 f 0.0104(2) 0.122(1) 0.3248(2) 1.  0 d
  H1    H1+    8 f 0.051(4) 0.40(1) 0.317(5) 1.  0 d
  H2    H1+    8 f 0.191(4) 0.395(9) 0.361(4) 1.  0 d
  H3    H1+    8 f 0.297(4) 0.18(1) 0.123(5) 1.  0 d
  H4    H1+    8 f 0.052(4) 0.37(1) 0.466(5) 1.  0 d
  H5    H1+    8 f 0.195(4) 0.34(1) 0.057(5) 1.  0 d
  H6    H1+    8 f 0.062(4) 0.31(1) -0.003(5) 1.  0 d
  H7    H1+    8 f 0.247(4) 0.48(1) 0.240(4) 1.  0 d
  H8    H1+    8 f 0.013(8) 0.12(2) 0.24(1) 0.5  0 d
  H9    H1+    8 f 0.015(9) 0.99(2) 0.027(9) 0.5  0 d
_refine_ls_R_factor_all            0.033