#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002635.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_2002635
_chemical_name_systematic
;
Potassium copper(I) diholmium tetramolybdenum oxide
;
_chemical_formula_structural       'K Cu Ho2 Mo4 O16'
_chemical_formula_sum              'Cu Ho2 K Mo4 O16'
_publ_section_title
;
Synthese und Kristallstruktur von K Cu Ho2 Mo4 O16
;
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                    49
_journal_year                      1994
_journal_page_first                350
_journal_page_last                 354
_cell_length_a                     5.216(1)
_cell_length_b                     12.513(2)
_cell_length_c                     19.53099(200)
_cell_angle_alpha                  90
_cell_angle_beta                   92.903(18)
_cell_angle_gamma                  90
_cell_volume                       1273.1
_cell_formula_units_Z              4
_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
  Ho3+   3.000
  Mo6+   6.000
  Cu1+   1.000
  K1+    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
  Ho1   Ho3+   8 f 0.9986(1) 0.8524 0.0314 1.  0 d
  Mo1   Mo6+   8 f 0.0132(2) 0.5610(1) 0.0907 1.  0 d
  Mo2   Mo6+   8 f 0.0084(2) 0.2586(1) 0.1465 1.  0 d
  Cu1   Cu1+   4 e 0. 0.691 0.25 1.  0 d
  K1    K1+    4 e 0. 0.9707(3) 0.25 1.  0 d
  O1    O2-    8 f 0.8223(8) 0.2378(5) 0.4326(4) 1.  0 d
  O2    O2-    8 f 0.1642(8) 0.3313(5) 0.5430(4) 1.  0 d
  O3    O2-    8 f 0.7389(8) 0.4806(6) 0.5368(4) 1.  0 d
  O4    O2-    8 f 0.1256(8) 0.1394(6) 0.3280(4) 1.  0 d
  O5    O2-    8 f 0.8951(8) 0.4105(6) 0.6692(4) 1.  0 d
  O6    O2-    8 f 0.7759(8) 0.2998(6) 0.2878(4) 1.  0 d
  O7    O2-    8 f 0.7760(8) 0.4527(5) 0.3997(4) 1.  0 d
  O8    O2-    8 f 0.2539(8) 0.3484(6) 0.3694(4) 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
  Ho1   0.624(8) 0.008(8) -0.016(8) 0.616(8) 0.016(8) 0.647(8)
  Mo1   0.679(23) -0.039(16) 0.008(16) 0.764(23) 0.023(16) 0.655(23)
  Mo2   0.679(23) 0.062(16) .000(16) 0.897(23) 0.078(16) 0.647(23)
  Cu1   2.395(47) 0. -0.983(47) 1.544(47) 0. 1.685(47)
  K1    2.769(55) 0. -0.764(55) 0.913(55) 0. 2.168(55)
  O1    0.905(62) 0.554(55) 0.187(55) 0.998(62) 0.023(55) 0.967(62)
  O2    0.959(62) 0.206(55) 0.203(55) 0.694(55) 0.117(55) 1.139(62)
  O3    1.131(62) -0.047(55) -0.257(55) 0.772(62) -0.016(55) 1.287(62)
  O4    1.318(62) -0.156(62) -0.226(62) 1.412(62) -0.304(62) 1.466(62)
  O5    1.310(62) 0.390(62) 0.133(55) 1.435(62) 0.484(55) 0.905(62)
  O6    1.318(62) -0.523(55) -0.234(55) 1.217(62) -0.312(55) 0.827(78)
  O7    0.827(62) 0.047(55) -0.109(55) 0.772(55) 0.031(55) 1.186(62)
  O8    1.045(62) -0.016(62) -0.172(55) 1.326(62) 0.203(55) 0.889(62)
_refine_ls_R_factor_all            0.033
_cod_database_code 2002635