#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/25/2002527.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_2002527
_chemical_name_systematic          'Copper holmium ditungsten octaoxide'
_chemical_formula_structural       'Cu Ho W2 O8'
_chemical_formula_sum              'Cu Ho O8 W2'
_publ_section_title
;
Ein Beitrag zur Kristallstruktur von Cu Y W2 O8, Cu Ho W2 O8 und Cu Yb
W2 O8
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Krueger, T'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    607
_journal_year                      1992
_journal_page_first                52
_journal_page_last                 56
_cell_length_a                     10.045(3)
_cell_length_b                     5.808(3)
_cell_length_c                     5.021(2)
_cell_angle_alpha                  90
_cell_angle_beta                   94.38(3)
_cell_angle_gamma                  90
_cell_volume                       292.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 2/n 1'
_symmetry_Int_Tables_number        13
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  '1/2-x,y,1/2-z'
  '1/2+x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu1+   1.000
  W6+    6.000
  Ho3+   3.000
  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+   2 f 0.25 0.2704(7) 0.75 1.  0 d
  W1    W6+    4 g 0.0157(1) 0.1801(1) 0.2522(1) 1.  0 d
  Ho1   Ho3+   2 e 0.25 0.7028(2) 0.25 1.  0 d
  O1    O2-    4 g 0.8931(10) 0.3740(16) 0.1053(18) 1.  0 d
  O2    O2-    4 g 0.4086(9) 0.8918(15) 0.0539(17) 1.  0 d
  O3    O2-    4 g 0.8856(11) 0.9228(18) 0.0254(19) 1.  0 d
  O4    O2-    4 g 0.3639(9) 0.3765(15) 0.0972(17) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_B_11
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_22
_atom_site_aniso_B_23
_atom_site_aniso_B_33
  Cu1   1.41(9) 0. -0.02(7) 3.23(13) 0. 1.34(9)
  W1    0.55(1) 0.06(1) 0.09(1) 0.89(2) -0.03(2) 0.74(2)
  Ho1   0.51(2) 0. 0.23(2) 1.09(2) 0. 1.22(2)
_refine_ls_R_factor_all            0.042
_cod_database_code 2002527