#------------------------------------------------------------------------------
#$Date: 2015-10-05 12:24:52 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159828 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533574.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_1533574
loop_
_publ_author_name
'Grzywa, M.'
'Rafalska-Lasocha, A.'
'Lasocha, W.'
_publ_section_title
;
 X-ray powder diffraction data of potassium
 mue-oxo-bis(oxodiperoxovanadate)(4-) hydrate K4 (O (V O (O2)2)2) (H2 O)
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              248
_journal_page_last               251
_journal_volume                  18
_journal_year                    2003
_chemical_formula_sum            'H2 K4 O12 V2'
_chemical_name_systematic        'K4 (O (V O (O2)2)2) (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.69
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7097
_cell_length_b                   9.9574
_cell_length_c                   15.825
_cell_volume                     1055.095
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Grzywa_PODIE2_2003_1969.cif
_cod_data_source_block           H2K4O12V2
_cod_database_code               1533574
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O1 O-1 0.412 0.2 -0.028 1 0.0
O5 O-2 0.085 0.356 -0.029 1 0.0
O3 O-1 0.23 0.371 0.153 1 0.0
O2 O-1 0.493 0.337 -0.015 1 0.0
O4 O-1 0.33 0.468 0.1 1 0.0
O12 O-2 0.043 0.131 0.91 1 0.0
K4 K+1 0.75 0.409 0.134 1 0.0
O6 O-2 0.121 0.134 0.066 1 0.0
O11 O-2 0.219 -0.034 0.186 1 0.0
V2 V+5 0.215 0.127 0.188 1 0.0
K1 K+1 0.236 -0.081 -0.029 1 0.0
K3 K+1 0.288 0.459 0.308 1 0.0
O7 O-1 -0.027 0.159 0.241 1 0.0
V1 V+5 0.254 0.308 0.041 1 0.0
O10 O-1 0.466 0.184 0.238 1 0.0
O9 O-1 0.465 0.175 0.146 1 0.0
K2 K+1 0.231 0.705 0.133 1 0.0
O8 O-1 0.149 0.217 0.288 1 0.0
