#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002635.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
loop_
_publ_author_name
'Szillat, H'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Synthese und Kristallstruktur von K Cu Ho2 Mo4 O16
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              350
_journal_page_last               354
_journal_volume                  49
_journal_year                    1994
_chemical_formula_structural     'K Cu Ho2 Mo4 O16'
_chemical_formula_sum            'Cu Ho2 K Mo4 O16'
_chemical_name_systematic
;
Potassium copper(I) diholmium tetramolybdenum oxide
;
_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                 92.903(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.216(1)
_cell_length_b                   12.513(2)
_cell_length_c                   19.53099(200)
_cell_volume                     1273.1
_refine_ls_R_factor_all          0.033
_cod_database_code               2002635
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
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_type_symbol
_atom_type_oxidation_number
Ho3+ 3.000
Mo6+ 6.000
Cu1+ 1.000
K1+ 1.000
O2- -2.000
