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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/77/1537702.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_1537702
loop_
_publ_author_name
'Avtamonova, N.V.'
'Trunov, V.K.'
'Zhuravlev, V.D.'
_publ_section_title
;
 Die Kristallstruktur von Ba (V O3)2 H2 O.
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1172
_journal_page_last               1175
_journal_volume                  24
_journal_year                    1988
_chemical_formula_sum            'Ba H2 O7 V2'
_chemical_name_systematic        'Ba (V O3)2 H2 O'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.412
_cell_length_b                   9.011
_cell_length_c                   9.741
_cell_volume                     650.597
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Avtamonova_IVNMAW_1988_1031.cif
_cod_data_source_block           H2Ba1O7V2
_cod_original_cell_volume        650.5969
_cod_original_formula_sum        'H2 Ba1 O7 V2'
_cod_database_code               1537702
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-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
O2 O-2 0.554 0.5894 0.0916 1 0.0
O3 O-2 0.5089 0.2387 0.1584 1 0.0
V2 V+5 0.2296 0.0046 0.0047 1 0.0
O4 O-2 0.118 0.1215 0.104 1 0.0
V1 V+5 0.4657 0.2667 0.3229 1 0.0
Ba1 Ba+2 0.2448 0.40007 0.0206 1 0.0
O5 O-2 0.1341 0.8948 0.4075 1 0.0
O7 O-2 0.375 0.361 0.679 1 0.0
O1 O-2 0.2787 0.3639 0.3291 1 0.0
O6 O-2 0.644 0.3736 0.3959 1 0.0
