#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/01/2020177.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_2020177
loop_
_publ_author_name
'Driss, A.'
'Jouini, T.'
_publ_section_title
;
 Structure de Na H2 As3 O9: Un nouvel anion arseniate condense
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1507
_journal_page_last               1510
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'As3 H2 Na O9'
_chemical_name_systematic        'Na H2 (As3 O9)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.89
_cell_angle_beta                 107.27
_cell_angle_gamma                106.15
_cell_formula_units_Z            2
_cell_length_a                   7.167
_cell_length_b                   7.575
_cell_length_c                   7.85
_cell_volume                     346.899
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Driss_ACSCEE_1988_1594.cif
_cod_data_source_block           H2As3Na1O9
_cod_original_cell_volume        346.8989
_cod_original_formula_sum        'H2 As3 Na1 O9'
_cod_database_code               2020177
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
O4 O-2 0.1853 0.2833 0.264 1 0.0
O9 O-2 0.3146 0.6859 0.4961 1 0.0
O2 O-2 0.2784 0.4672 0.0349 1 0.0
O8 O-2 0.0103 0.1835 0.4613 1 0.0
As2 As+5 0.155 0.436 0.4772 1 0.0
O7 O-2 0.3922 0.077 0.6277 1 0.0
O1 O-2 0.3948 0.1433 0.0475 1 0.0
H2 H+1 0.41 0.22 0.67 1 0.0
O3 O-2 0.1061 0.7991 0.2202 1 0.0
O6 O-2 0.3972 0.4448 0.6474 1 0.0
Na1 Na+1 0.3154 0.8223 0.0425 1 0.0
H1 H+1 0.1275 0.3619 -0.0658 1 0.0
O5 O-2 0.0914 0.5683 0.6802 1 0.0
As3 As+5 0.1878 0.8369 0.4527 1 0.0
As1 As+5 0.3665 0.3468 0.1674 1 0.0
