#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002675.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_2002675
_chemical_name_systematic          'Silver tricopper potassium tris(molybdate)'
_chemical_formula_structural       'Ag Cu3 K (Mo O4)4'
_chemical_formula_sum              'Ag Cu3 K Mo4 O16'
_publ_section_title
;
Ueber das Oxomolybdat Ag K Cu3 Mo4 O16 mit Silber in siebenfacher
Koordination
;
loop_
_publ_author_name
  'Szillat, H'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    50
_journal_year                      1995
_journal_page_first                252
_journal_page_last                 256
_cell_length_a                     5.0562(11)
_cell_length_b                     14.546(4)
_cell_length_c                     19.85799(900)
_cell_angle_alpha                  90
_cell_angle_beta                   86.64(5)
_cell_angle_gamma                  90
_cell_volume                       1458.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  Cu2+   2.000
  K1+    1.000
  Ag1+   1.000
  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
  Mo1   Mo6+   4 e 0.19262(3) 0.91551(1) 0.429910(7) 1.  0 d
  Mo2   Mo6+   4 e 0.24978(3) 0.100770(11) 0.271560(7) 1.  0 d
  Mo3   Mo6+   4 e 0.32316(3) 0.177580(11) 0.060190(7) 1.  0 d
  Mo4   Mo6+   4 e 0.27974(3) -0.230600(11) 0.170720(8) 1.  0 d
  Cu1   Cu2+   4 e 0.70864(4) 0.06095(2) 0.387350(11) 1.  0 d
  Cu2   Cu2+   4 e 0.19400(4) 0.17539(2) 0.427430(11) 1.  0 d
  Cu3   Cu2+   4 e 0.77427(4) 0.20561(2) 0.172160(11) 1.  0 d
  K1    K1+    4 e 0.80555(7) -0.02791(2) 0.09905(2) 1.  0 d
  Ag1   Ag1+   4 e 0.27226(3) 0.361800(11) 0.208940(8) 1.  0 d
  O1    O2-    4 e 0.3896(2) 1.01512(9) 0.43803(6) 1.  0 d
  O2    O2-    4 e 0.0177(2) 0.12810(9) 0.34786(6) 1.  0 d
  O3    O2-    4 e 0.3731(3) 0.25263(11) -0.00970(7) 1.  0 d
  O4    O2-    4 e 0.4864(2) -0.32790(9) 0.13431(6) 1.  0 d
  O5    O2-    4 e 0.3774(2) 0.83592(9) 0.38232(6) 1.  0 d
  O6    O2-    4 e 0.6263(3) 0.14618(9) 0.09874(6) 1.  0 d
  O7    O2-    4 e -0.0934(3) 0.94633(9) 0.38771(7) 1.  0 d
  O8    O2-    4 e 0.9266(3) 0.26098(9) 0.25173(7) 1.  0 d
  O9    O2-    4 e 0.0759(3) -0.18972(10) 0.11087(7) 1.  0 d
  O10   O2-    4 e 0.4431(3) 0.00768(10) 0.29005(7) 1.  0 d
  O11   O2-    4 e 0.4630(3) 0.18714(10) 0.23345(7) 1.  0 d
  O12   O2-    4 e 0.5001(3) -0.14492(10) 0.18101(8) 1.  0 d
  O13   O2-    4 e 0.1917(3) 0.07758(12) 0.03214(7) 1.  0 d
  O14   O2-    4 e 0.0973(3) 0.87391(9) 0.51213(7) 1.  0 d
  O15   O2-    4 e 1.0957(3) 0.23045(10) 0.11994(7) 1.  0 d
  O16   O2-    4 e 0.0444(3) 0.06251(12) 0.21137(7) 1.  0 d
_refine_ls_R_factor_all            0.077