#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002182.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_2002182
_chemical_name_systematic          'Diholmium dicopper oxide'
_chemical_formula_structural       'Ho2 Cu2 O5'
_chemical_formula_sum              'Cu2 Ho2 O5'
_publ_section_title
;
Ueber Oxocuprate, XXIII. Zur Kenntnis von Ho2 Cu2 O5
;
loop_
_publ_author_name
  'Freund, H R'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_volume                    32
_journal_year                      1977
_journal_page_first                609
_journal_page_last                 611
_cell_length_a                     12.478
_cell_length_b                     10.813
_cell_length_c                     3.495
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       471.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 n b'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ho3+   3.000
  Cu2+   2.000
  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+   4 a 0. 0.2067 0.2216 1.  0 d
  Ho2   Ho3+   4 a 0.3296 0.0411 0.2179 1.  0 d
  Cu1   Cu2+   4 a 0.1125 0.9889 0.6714 1.  0 d
  Cu2   Cu2+   4 a 0.2145 0.2598 0.647 1.  0 d
  O1    O2-    4 a 0.347 0.182 0.721 1.  0 d
  O2    O2-    4 a 0.06 0.329 0.684 1.  0 d
  O3    O2-    4 a 0.171 0.112 0.323 1.  0 d
  O4    O2-    4 a 0.26 0.432 0.75 1.  0 d
  O5    O2-    4 a 0.467 0.417 0.255 1.  0 d
_refine_ls_R_factor_all            0.129
_cod_database_code 2002182