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#$Date: 2015-10-10 04:17:52 +0200 (Sat, 10 Oct 2015) $
#$Revision: 164414 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/66/1536629.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_1536629
loop_
_publ_author_name
'Plyasova, L.M.'
'Kryukova, G.N.'
'Solov'eva, L.P.'
'Zabolotnyi, V.A.'
'Olen'kova, I.P.'
_publ_section_title
;
 The study of atomic structure of polycrystalline vanadium molybdate
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              110
_journal_page_last               115
_journal_volume                  32
_journal_year                    1991
_chemical_formula_sum            'Mo0.97 O5 V0.95'
_chemical_name_systematic        'V0.95 Mo0.97 O5'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.3
_cell_angle_gamma                90.5
_cell_formula_units_Z            1
_cell_length_a                   6.334
_cell_length_b                   4.0463
_cell_length_c                   3.7255
_cell_volume                     91.158
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Plyasova_ZSTKAI_1991_1104.cif
_cod_data_source_block           Mo0.97O5V0.95
_cod_original_cell_volume        91.15849
_cod_database_code               1536629
loop_
_symmetry_equiv_pos_as_xyz
x,y,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
Mo2 Mo+6 0.592 0.17 0.324 0.58 0.0
O4 O-2 0.306 0.073 0.155 1 0.0
O2 O-2 0.655 0.102 0.819 1 0.0
O5 O-2 0.944 0.106 0.515 1 0.0
Mo1 Mo+6 0 0 0 0.39 0.0
V2 V+5 0.592 0.17 0.324 0.38 0.0
O1 O-2 0.998 0.544 0.002 1 0.0
V1 V+4 0 0 0 0.57 0.0
O3 O-2 0.573 0.543 0.313 1 0.0
