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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/72/1007220.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
loop_
_publ_author_name
'Averbuch-Pouchot, M T'
'Durif, A'
'Schuelke, U'
_publ_section_title
;
Silver-potassium cyclodecaphosphate decahydrate,
Ag₄K₆P₁₀O₃₀.10H₂O: a new example of a phosphoric 10-member
ring anion
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               304
_journal_paper_doi               10.1016/0022-4596(92)90037-V
_journal_volume                  97
_journal_year                    1992
_chemical_formula_structural     'Ag4 K6 (P10 O30) (H2 O)10'
_chemical_formula_sum            'Ag4 H20 K6 O40 P10'
_chemical_name_systematic
;
Tetrasilver hexapotassium cyclo-decaphosphate decahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.38(5)
_cell_angle_beta                 101.03(5)
_cell_angle_gamma                87.51(5)
_cell_formula_units_Z            1
_cell_length_a                   14.267(7)
_cell_length_b                   7.305(1)
_cell_length_c                   10.319(4)
_cell_volume                     1017.8
_refine_ls_R_factor_all          0.046
_cod_original_formula_sum        'H20 Ag4 K6 O40 P10'
_cod_database_code               1007220
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ag1+ 1.000
K1+ 1.000
P5+ 5.000
O2- -2.000
H1+ 1.000
