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#$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $
#$Revision: 177123 $
#$URL: svn://www.crystallography.net/cod/cif/5/91/00/5910086.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_5910086
loop_
_publ_author_name
'Okada, K.'
'Marumo, F.'
'Iwai, S. I.'
_publ_section_title              'The crystal structure of K2 W4 O13'
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_year                    1978
_journal_volume                  34
_journal_issue                   11
_journal_page_first              3193
_journal_page_last               3195
_journal_coden_ASTM              ACBCAR
_journal_paper_doi               10.1107/S0567740878014739
_chemical_formula_structural     'K2 W4 O13'
_chemical_formula_sum            'K2 O13 W4'
_chemical_name_systematic        'Potassium Tetratungstate'
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_audit_creation_date             1980/01/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            3
_cell_length_a                   15.566(1)
_cell_length_b                   15.566(1)
_cell_length_c                   3.746(1)
_cell_volume                     786.1(2)
_exptl_crystal_density_meas      6.31
_refine_ls_R_factor_all          0.081
_cod_original_cell_volume        786.05
_cod_database_code               5910086
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x-y, x, -z'
2 'y, -x+y, -z'
3 '-x, -y, -z'
4 '-x+y, -x, z'
5 '-y, x-y, z'
6 'x, y, 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
W1 W6+ 6 g 0.26688(5) 0.08818(5) -.0591(2) 1. 0
W2 W6+ 6 g 0.45214(5) 0.36222(5) -.0559(2) 1. 0
K1 K1+ 6 g 0.4977(5) 0.1821(6) 0.474(2) 0.8333 0
K2 K1+ 1 b 0 0 0.5 1. 0
O1 O2- 6 g 0.350(2) 0.039(2) 0.016(6) 1. 0
O2 O2- 6 g 0.374(2) 0.225(1) -.008(7) 1. 0
O3 O2- 6 g 0.028(1) 0.179(2) 0.002(9) 1. 0
O4 O2- 6 g 0.567(2) 0.368(2) -.012(6) 1. 0
O5 O2- 6 g 0.275(3) 0.098 0.479(5) 1. 0
O6 O2- 6 g 0.445(3) 0.358(3) 0.470(7) 1. 0
O7 O2- 3 e 0.5 0 0 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1
O2- -2
W6+ 6
