#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007220.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_1007220
_chemical_name_systematic
;
Tetrasilver hexapotassium cyclo-decaphosphate decahydrate
;
_chemical_formula_structural       'Ag4 K6 (P10 O30) (H2 O)10'
_chemical_formula_sum            'Ag4 H20 K6 O40 P10'
_[local]_cod_chemical_formula_sum_orig 'H20 Ag4 K6 O40 P10'
_publ_section_title
;
Silver-potassium cyclodecaphosphate decahydrate,
Ag~4~K~6~P~10~O~30~.10H~2~O: a new example of a phosphoric 10-member
ring anion
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
  'Schuelke, U'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    97
_journal_year                      1992
_journal_page_first                299
_journal_page_last                 304
_cell_length_a                     14.267(7)
_cell_length_b                     7.305(1)
_cell_length_c                     10.319(4)
_cell_angle_alpha                  105.38(5)
_cell_angle_beta                   101.03(5)
_cell_angle_gamma                  87.51(5)
_cell_volume                       1017.8
_cell_formula_units_Z              1
_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
  Ag1+   1.000
  K1+    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
  Ag1   Ag1+   2 i 0.05641(4) 0.30269(8) 0.44820(6) 1.  0 d
  Ag2   Ag1+   2 i 0.85582(4) 0.79115(8) 0.83806(6) 1.  0 d
  K1    K1+    2 i 0.9061(1) 0.3866(2) 0.0538(1) 1.  0 d
  K2    K1+    2 i 0.2388(1) 0.6756(2) 0.6427(2) 1.  0 d
  K3    K1+    2 i 0.5207(1) 0.7270(3) 0.1867(2) 1.  0 d
  P1    P5+    2 i -0.0937(1) 0.3093(2) 0.6727(2) 1.  0 d
  P2    P5+    2 i -0.0459(1) -0.0597(2) 0.2020(2) 1.  0 d
  P3    P5+    2 i 0.2144(1) 0.2049(2) 0.7364(2) 1.  0 d
  P4    P5+    2 i 0.2918(1) 0.1917(2) 0.4948(2) 1.  0 d
  P5    P5+    2 i 0.2713(1) 0.8281(2) 0.2826(2) 1.  0 d
  O1    O2-    2 i 0.0746(4) 0.6466(6) 0.4527(4) 1.  0 d
  O2    O2-    2 i 0.0370(4) 0.8796(6) 0.3120(5) 1.  0 d
  O3    O2-    2 i 0.7981(3) 0.2346(6) 0.6308(4) 1.  0 d
  O4    O2-    2 i 0.0798(4) 0.5412(6) 0.1958(5) 1.  0 d
  O5    O2-    2 i -0.0232(4) 0.1390(6) 0.2077(5) 1.  0 d
  O6    O2-    2 i 0.0623(4) 0.2102(6) 0.9291(4) 1.  0 d
  O7    O2-    2 i 0.1354(3) 0.0468(6) 0.7234(5) 1.  0 d
  O8    O2-    2 i 0.1690(4) 0.3873(6) 0.7251(5) 1.  0 d
  O9    O2-    2 i 0.7076(4) 0.8009(8) 0.1460(5) 1.  0 d
  O10   O2-    2 i 0.7480(4) 0.9019(6) 0.4014(5) 1.  0 d
  O11   O2-    2 i 0.2116(4) 0.2807(7) 0.4182(5) 1.  0 d
  O12   O2-    2 i 0.3761(4) 0.3083(8) 0.5694(5) 1.  0 d
  O13   O2-    2 i 0.2129(4) 0.8893(7) 0.1658(5) 1.  0 d
  O14   O2-    2 i 0.6546(4) 0.3190(7) 0.7440(5) 1.  0 d
  O15   O2-    2 i 0.3258(3) 0.0051(6) 0.3967(5) 1.  0 d
  O16   O2-    2 i 0.6971(4) 0.6965(8) 0.8673(6) 1.  2 d
  O17   O2-    2 i 0.5535(5) 0.340(1) 0.0924(7) 1.  2 d
  O18   O2-    2 i 0.7233(5) 0.1437(8) 0.0722(5) 1.  2 d
  O19   O2-    2 i 0.5867(5) 0.3375(9) 0.4548(7) 1.  2 d
  O20   O2-    2 i 0.4706(5) 0.1086(9) 0.2226(7) 1.  2 d
  H1    H1+    2 i -1. -1. -1. 10.  0 dum
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Ag1   0.0310(2) -0.0013(2) 0.0135(2) 0.0261(2) 0.0037(2) 0.0361(3)
  Ag2   0.0353(3) 0.0068(2) 0.0044(2) 0.0274(2) 0.0108(2) 0.0224(2)
  K1    0.0304(6) 0.0008(5) 0.0050(5) 0.0220(5) 0.0032(4) 0.0166(5)
  K2    0.0434(8) -0.0013(6) 0.0018(6) 0.0263(6) 0.0082(5) 0.0251(6)
  K3    0.0285(7) 0.0017(6) 0.0053(6) 0.0380(7) 0.0110(6) 0.0367(8)
  P1    0.0192(6) .0000(5) 0.0033(5) 0.0127(5) 0.0046(4) 0.0141(6)
  P2    0.0221(6) 0.0005(5) 0.0037(5) 0.0131(5) 0.0054(4) 0.0131(5)
  P3    0.0247(7) 0.0007(5) 0.0082(5) 0.0156(6) 0.0031(5) 0.0170(6)
  P4    0.0276(7) 0.0003(5) 0.0070(6) 0.0156(6) 0.0033(5) 0.0157(6)
  P5    0.0210(6) -0.0006(5) 0.0060(5) 0.0164(6) 0.0039(5) 0.0164(6)
  O1    0.031(2) -0.001(2) 0.008(2) 0.025(2) 0.010(1) 0.018(2)
  O2    0.032(2) 0.006(2) -0.001(2) 0.015(2) 0.003(1) 0.016(2)
  O3    0.021(2) -0.004(2) 0.004(2) 0.029(2) 0.010(1) 0.018(2)
  O4    0.029(2) 0.001(2) 0.003(2) 0.015(2) -0.003(2) 0.019(2)
  O5    0.039(2) .000(2) 0.006(2) 0.017(2) 0.013(1) 0.024(2)
  O6    0.035(2) 0.002(2) 0.004(2) 0.022(2) 0.002(1) 0.012(2)
  O7    0.023(2) 0.001(2) 0.011(2) 0.017(2) 0.003(2) 0.028(2)
  O8    0.044(3) 0.007(2) 0.017(2) 0.016(2) 0.005(2) 0.033(2)
  O9    0.028(2) -0.003(2) 0.001(2) 0.045(3) 0.007(2) 0.024(2)
  O10   0.044(2) 0.004(2) 0.021(2) 0.020(2) 0.005(2) 0.023(2)
  O11   0.039(3) 0.014(2) 0.012(2) 0.038(2) 0.016(2) 0.023(2)
  O12   0.043(3) -0.011(2) 0.005(2) 0.029(2) 0.002(2) 0.027(2)
  O13   0.041(3) -0.001(2) 0.005(2) 0.024(2) 0.006(1) 0.015(2)
  O14   0.029(2) 0.004(2) 0.011(2) 0.022(2) .000(2) 0.028(2)
  O15   0.022(2) -0.002(2) 0.007(2) 0.016(2) 0.001(1) 0.023(2)
  O16   0.048(3) -0.004(2) 0.013(2) 0.028(2) 0.002(2) 0.034(3)
  O17   0.068(4) 0.011(3) 0.021(3) 0.047(3) 0.017(3) 0.049(3)
  O18   0.058(3) 0.009(3) 0.009(2) 0.035(3) 0.007(2) 0.021(2)
  O19   0.049(3) 0.003(3) 0.006(3) 0.040(3) 0.019(2) 0.052(3)
  O20   0.058(4) 0.004(3) 0.020(3) 0.041(3) 0.015(3) 0.060(4)
_refine_ls_R_factor_all            0.046
_cod_database_code 1007220