#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/62/2106285.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_2106285
loop_
_publ_author_name
'Clearfield, A.'
'Duax, W.L.'
_publ_section_title
;
 The crystal structure of the ion exchanger zirconium bis(monohydrogen
 orthoarsenate) monohydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2658
_journal_page_last               2662
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'As2 H4 O9 Zr'
_chemical_name_systematic        'Zr (H As O4)2 H2 O'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.178
_cell_length_b                   5.378
_cell_length_c                   16.55
_cell_volume                     761.095
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Clearfield_ACBCAR_1969_1794.cif
_cod_data_source_block           H4As2O9Zr1
_cod_original_cell_volume        761.0949
_cod_original_formula_sum        'H4 As2 O9 Zr1'
_cod_database_code               2106285
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
As1 As+5 0.0032 0.7575 0.6144 1 0.0
O1 O-2 0.1204 0.8468 0.5646 1 0.0
O8 O-2 0.3731 0.8385 0.9109 1 0.0
O6 O-2 0.4287 0.5532 0.0687 1 0.0
O4 O-2 0.1054 0.7568 0.7231 1 0.0
O9 O-2 0.2541 0.2838 0.2626 1 0.0
O3 O-2 0.8515 0.9502 0.5923 1 0.0
O7 O-2 0.5152 0.259 0.2129 1 0.0
O5 O-2 0.318 0.0711 0.0592 1 0.0
As2 As+5 0.4684 0.2641 0.1036 1 0.0
O2 O-2 0.9455 0.4661 0.5953 1 0.0
Zr1 Zr+4 0.2401 0.7438 0.4857 1 0.0
