#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/02/2000271.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000271
loop_
_publ_author_name
'Wang, S.-L.'
'Lee, W.-C.'
_publ_section_title
;
 Structure of vanadyl(IV) dihydrogenarsenate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1709
_journal_page_last               1711
_journal_paper_doi               10.1107/S0108270191002214
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'O1 V1,2(H2 As1 O4)'
_chemical_formula_sum            'As2 H4 O9 V'
_chemical_formula_weight         348.8
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1310(10)
_cell_length_b                   9.1310(10)
_cell_length_c                   8.146(3)
_cell_volume                     679.2(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.089
_exptl_crystal_density_diffrn    3.412
_exptl_crystal_F_000             660
_cod_data_source_file            cr0308.cif
_cod_data_source_block           cr0308a
_cod_original_cell_volume        679.1(4)
_cod_original_sg_symbol_H-M      'P 4/n c c {origin @  -1 @ n 1(c,n)}'
_cod_original_formula_sum        'H4 As2 O9 V1'
_cod_database_code               2000271
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As(1) .46680(10) .53320(10) .2500 .0080(10)
V(1) .2500 .2500 .1952(3) .0080(10)
O(1) .3886(6) .6123(5) .0793(6) .0180(10)
O(2) .4345(4) .3549(5) .2435(6) .0120(10)
O(3) .2500 .2500 -.008(9) .015(2)
H(1) .4436 .6853 .0463 .05
