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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531918.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_1531918
loop_
_publ_author_name
'Murashova, E.V.'
'Chudinova, N.N.'
'Ilyukhin, A.B.'
_publ_section_title
;
 Synthesis and structure of 14-heteropolyvanadate Rb5.89 (H3 O)3.11 (P
 V(V)14 O42) * 5.27(H2 O)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1431
_journal_page_last               1434
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'H19.87 O50.38 P Rb5.89 V14'
_chemical_name_systematic        'Rb5.89 (H3 O)3.11 (P V14 O42) (H2 O)5.27'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.9448
_cell_length_b                   21.9448
_cell_length_c                   21.9448
_cell_volume                     10568.051
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Murashova_ZNOKAQ_2001_90.cif
_cod_data_source_block           H19.87O50.38P1Rb5.89V14
_cod_original_cell_volume        10568.05
_cod_original_formula_sum        'H19.87 O50.38 P1 Rb5.89 V14'
_cod_database_code               1531918
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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-2 0.2101 0.2899 0.2101 1 0.0
Rb8 Rb+1 0 0 0.1989 0.0632 0.0
Rb12 Rb+1 0 0 0.3189 0.127 0.0
Rb21 Rb+1 0.25 0.25 0 0.16 0.0
Rb3 Rb+1 0 0 0.0956 0.016 0.0
Rb14 Rb+1 0 0 0.3814 0.0288 0.0
Rb9 Rb+1 0 0 0.2752 0.051 0.0
Rb15 Rb+1 0 0 0.4302 0.0104 0.0
V1 V+5 0.13774 0.25449 0.13774 1 0.0
O5 O-2 0.221 0.245 0 0.1667 0.0
Rb7 Rb+1 0 0 0.1838 0.078 0.0
Rb4 Rb+1 0 0 0.1275 0.0288 0.0
O2 O-2 0.19753 0.19753 0.1131 1 0.0
O7 O-2 0 0.128 0.128 0.276 0.0
Rb17 Rb+1 0 0.0391 0.0391 0.01 0.0
P1 P+5 0.25 0.25 0.25 1 0.0
Rb16 Rb+1 0 0 0.5 0.24 0.0
Rb13 Rb+1 0 0 0.3365 0.0328 0.0
Rb18 Rb+1 0.0292 0.0292 0.4175 0.017 0.0
Rb20 Rb+1 0 0.1435 0.1435 0.27 0.0
Rb11 Rb+1 0 0 0.2974 0.24 0.0
O4 O-2 0.18338 0.31662 0.097 1 0.0
O6 O-2 0 0.1286 0.3714 1 0.0
Rb5 Rb+1 0 0.0309 0.1409 0.0212 0.0
O8 O-2 0.089 0.089 0.089 0.18 0.0
Rb10 Rb+1 0 0 0.2878 0.232 0.0
Rb1 Rb+1 0 0 0 0.058 0.0
Rb6 Rb+1 0 0 0.1633 0.096 0.0
Rb2 Rb+1 0 0 0.0438 0.0176 0.0
Rb19 Rb+1 0 0.0412 0.4588 0.008 0.0
O3 O-2 0.0865 0.2439 0.0865 1 0.0
V2 V+5 0.25 0.25 0.0755 0.333 0.0
