#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002660.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_2002660
_chemical_name_systematic
;
Copper(I) pentadysprosium octakis(tungstate)
;
_chemical_formula_structural       'Cu Dy5 (W O4)8'
_chemical_formula_sum              'Cu Dy5 O32 W8'
_publ_section_title
;
Ein neuer Strukturtyp beiKupfer-Lanthanoid-Oxowolframaten: Cu Dy5 (W
O4)8
;
loop_
_publ_author_name
  'Gressling, T'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    621
_journal_year                      1995
_journal_page_first                181
_journal_page_last                 185
_cell_length_a                     19.118(3)
_cell_length_b                     5.6123(4)
_cell_length_c                     11.518(5)
_cell_angle_alpha                  90
_cell_angle_beta                   111.32(2)
_cell_angle_gamma                  90
_cell_volume                       1151.3
_cell_formula_units_Z              2
_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
  Cu1+   1.000
  Dy3+   3.000
  W6+    6.000
  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
  Cu1   Cu1+   4 e 0. 0.27628(6) 0.25 0.5  0 d
  Dy1   Dy3+   4 e 0. 0.27628(6) 0.25 0.5  0 d
  Dy2   Dy3+   8 f 0.353570(6) 0.18529(2) 0.04387(1) 1.  0 d
  W1    W6+    8 f 0.187930(5) 0.13083(2) 0.287090(8) 1.  0 d
  W2    W6+    8 f 0.057240(5) 0.19156(2) 0.592230(9) 1.  0 d
  O1    O2-    8 f 0.10299(10) -0.1151(4) 0.2679(2) 1.  0 d
  O2    O2-    8 f 0.11967(10) 0.3995(4) 0.5796(2) 1.  0 d
  O3    O2-    8 f 0.13254(9) 0.0919(4) 0.1104(2) 1.  0 d
  O4    O2-    8 f 0.23337(9) -0.0247(4) 0.4388(2) 1.  0 d
  O5    O2-    8 f 0.13279(11) 0.3540(4) 0.3267(2) 1.  0 d
  O6    O2-    8 f 0.01716(13) 0.1103(5) 0.4219(2) 1.  0 d
  O7    O2-    8 f 0.25485(12) 0.3181(4) 0.2666(2) 1.  0 d
  O8    O2-    8 f -0.01500(12) 0.3716(4) 0.6138(2) 1.  0 d
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
  Cu1   0.0789(8) 0. -0.0005(6) 0.1656(12) 0. 0.0535(8)
  Dy1   0.0789(8) 0. -0.0005(6) 0.1656(12) 0. 0.0535(8)
  Dy2   0.0569(3) 0.0075(3) 0.0118(2) 0.0384(4) -0.0037(3) 0.0580(3)
  W1    0.0355(3) 0.0070(3) 0.0115(2) 0.0298(3) 0.0160(3) 0.0698(3)
  W2    0.0400(3) -0.0217(3) 0.0246(2) 0.0446(3) -0.0368(3) 0.1132(3)
_refine_ls_R_factor_all            0.057