#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002652.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_2002652
loop_
_publ_author_name
'Szillat, H'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Synthese und Kristallstruktur von Cu0.25 Ho1.25 W2 O8
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              1145
_journal_page_last               1149
_journal_volume                  49
_journal_year                    1994
_chemical_formula_structural     'Cu0.25 Ho1.25 W2 O8'
_chemical_formula_sum            'Cu0.25 Ho1.25 O8 W2'
_chemical_name_systematic
;
Copper(I) holmium tungsten oxide (0.25/1.25/2/8)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.44(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.12299(500)
_cell_length_b                   5.613(2)
_cell_length_c                   11.479(5)
_cell_volume                     1146.9
_refine_ls_R_factor_all          0.057
_cod_original_formula_sum        'Cu.25 Ho1.25 O8 W2'
_cod_database_code               2002652
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_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
W1 W6+ 8 f 0.1878 0.1309(1) 0.2875(1) 1. 0 d
W2 W6+ 8 f 0.0572 0.8081(1) 0.0923(1) 1. 0 d
Ho1 Ho3+ 8 f 0.1467 0.6856(1) 0.4563(1) 1. 0 d
Cu1 Cu1+ 4 e 0. 0.7200(3) 0.75 0.5 0 d
Ho2 Ho3+ 4 e 0. 0.7200(3) 0.75 0.5 0 d
O1 O2- 8 f 0.1028(6) 0.8850(1) 0.2704(8) 1. 0 d
O2 O2- 8 f 0.2334(6) 0.9733(11) 0.4396(7) 1. 0 d
O3 O2- 8 f 0.2555(7) 0.3190(11) 0.2649(8) 1. 0 d
O4 O2- 8 f 0.1329(6) 0.3528(11) 0.3259(8) 1. 0 d
O5 O2- 8 f 0.1199(6) 0.5934(11) 0.0798(8) 1. 0 d
O6 O2- 8 f 0.1324(5) 0.0963(11) 0.1102(8) 1. 0 d
O7 O2- 8 f 0.9863(6) 0.6246(12) 0.1155(8) 1. 0 d
O8 O2- 8 f 0.0166(6) 0.8923(12) 0.9220(8) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
W6+ 6.000
Ho3+ 3.000
Cu1+ 1.000
O2- -2.000
