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#$Date: 2015-07-08 15:30:27 +0200 (Wed 08 de Jul de 2015) $
#$Revision: 141108 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/10/7221074.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_7221074
loop_
_publ_author_name
'Roussel, P.'
'Drouard, S.'
'Groult, D.'
'Labbe, P.H.'
'Schlenker, C.'
'Dumas, J.'
_publ_section_title
;
 Crystal structure and electrical properties of K2 P4 W12 O44, the m=6
 member of the series of low-dimensional conductors Kx (P O2)4 (W O3)2m
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              973
_journal_page_last               978
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'K1.012 O22 P2 W6'
_chemical_name_systematic        'K1.012 P2 W6 O22'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.615
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.6736
_cell_length_b                   5.3543
_cell_length_c                   11.9005
_cell_volume                     424.791
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Roussel_JMACEP_1999_164.cif
_cod_data_source_block           K1.012O22P2W6
_cod_original_cell_volume        424.7913
_cod_database_code               7221074
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P1 P+5 0.666 0.25 0.40282 1 0.0
O4 O-2 0.1564 0.0004 0.8686 1 0.0
O2 O-2 0.4981 0.25 0.8078 1 0.0
O1 O-2 0.1703 0.25 0.0707 1 0.0
W3 W+5 0.64804 0.25 0.68739 1 0.0
W2 W+5 0.00268 0.25 0.18918 1 0.0
W1 W+5 0.3298 0.25 0.94122 1 0.0
K1 K+1 0.1399 0.25 0.4975 0.506 0.0
O3 O-2 0.5 0.5 0 1 0.0
O8 O-2 0.5454 0.4874 0.3817 1 0.0
O6 O-2 0.8181 0.0014 0.7291 1 0.0
O7 O-2 0.7475 0.25 0.5272 1 0.0
O5 O-2 0.8541 0.25 0.3347 1 0.0
