#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/63/2106360.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_2106360
loop_
_publ_author_name
'Khan, A.A.'
'Straumanis, M.E.'
'James, W.J.'
_publ_section_title
;
 The Crystal Structure of Diammonium Hydrogen Arsenate, (N H4)2 H As O4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1889
_journal_page_last               1892
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'As H9 N2 O4'
_chemical_name_systematic        '(N H4)2 H As O4'
_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                 113
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.378
_cell_length_b                   6.908
_cell_length_c                   8.129
_cell_volume                     588.141
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Khan_ACBCAR_1970_1043.cif
_cod_data_source_block           H9As1N2O4
_cod_original_formula_sum        'H9 As1 N2 O4'
_cod_database_code               2106360
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
O1 O-2 0.2083 0.9865 0.2142 1 0.0
O2 O-2 0.2599 0.0974 0.5438 1 0.0
N2 N-3 0.121 0.3774 0.2626 1 0.0
O4 O-2 0.1314 0.7459 0.4293 1 0.0
As1 As+5 0.2495 0.891 0.4285 1 0.0
O3 O-2 0.387 0.7682 0.4968 1 0.0
N1 N-3 0.448 0.1186 0.1535 1 0.0
