#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/09/2000939.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000939
loop_
_publ_author_name
'Naruke, H.'
'Yamase, T.'
_publ_section_title
;
 Structure of a photoluminescent polyoxotungstoantimonate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              597
_journal_page_last               599
_journal_paper_doi               10.1107/S0108270191010478
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'H1.5 K5.5,O24 Sb1 W6,6(H2 O1)'
_chemical_formula_sum            'H13.5 K5.5 O30 Sb W6'
_chemical_formula_weight         1933.48
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.672(3)
_cell_length_b                   13.672(3)
_cell_length_c                   12.908(5)
_cell_volume                     2089.6(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    18.225
_exptl_crystal_density_diffrn    3.07
_exptl_crystal_F_000             1706
_cod_data_source_file            as0506.cif
_cod_data_source_block           as0506a
_cod_original_cell_volume        2089.0(10)
_cod_original_formula_sum        'H13.5 K5.5 O30 Sb1 W6'
_cod_database_code               2000939
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
W .42780(10) .09460(10) .27090(8)
Sb .6667 .3333 .2735(4)
O(1) .520(2) .260 .352(2)
O(2) .814(2) .407 .195(2)
O(3) .390(2) .195 .199(2)
O(4) .942(2) .471 .343(2)
O(5) .326(2) .040(2) .3650(10)
O(6) .381(2) -.005(2) .174(2)
K(1) .6667 .3333 .6840(10)
K(2) .3788(9) .1894 .5411(7)
K(3) .933(3) .466 .002(3)
O(1') .448(2) .224 .749(2)
O(2') .8490(10) .425 .553(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sb O(1) 2.01(3)
Sb O(2) 2.01(3)
W O(1) 2.22(2)
W O(3) 1.930(10)
W O(5) 1.72(2)
W O(6) 1.72(2)
Sb W 3.2650(10)
K(1) O(1') 2.72(3)
K(1) O(2') 2.74(3)
K(2) O(1) 2.96(3)
K(2) O(5) 2.89(2)
K(2) O(1') 2.81(3)
