#------------------------------------------------------------------------------
#$Date: 2015-07-13 04:57:10 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149259 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/04/2310419.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_2310419
loop_
_publ_author_name
'Jost, K.H.'
'Worzala, H.'
'Thilo, E.'
_publ_section_title
;
 Die Struktur des As2 O5 (H2 O)1.6666
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              808
_journal_page_last               813
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'As3 H5 O10'
_chemical_name_systematic        'H5 As3 O10'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.8
_cell_angle_beta                 98
_cell_angle_gamma                99.7
_cell_formula_units_Z            1
_cell_length_a                   7.27
_cell_length_b                   5.7
_cell_length_c                   4.67
_cell_volume                     185.142
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Jost_ACCRA9_1966_1071.cif
_cod_data_source_block           H5As3O10
_cod_original_cell_volume        185.1421
_cod_chemical_formula_sum_orig   'H5 As3 O10'
_cod_database_code               2310419
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
H3 H+1 0.1 0.848 0.773 1 0.0
O5 O-2 0.395 0.703 0.319 1 0.0
O4 O-2 0.396 0.245 0.194 1 0.0
H2 H+1 0 0.5 0 1 0.0
H1 H+1 0.361 0.85 0.4 1 0.0
As2 As+5 0.5 0.5 0.5 1 0.0
O3 O-2 0.285 0.441 0.676 1 0.0
As1 As+5 0.2318 0.2464 0.9013 1 0.0
O1 O-2 0.029 0.299 0.012 1 0.0
O2 O-2 0.193 0.96 0.697 1 0.0