#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009806.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009806
loop_
_publ_author_name
'Bodenstein D'
'Brehm A'
'Jones P G'
'Schwarzmann E'
'Sheldrick G M'
_publ_section_title
;
 Darstellung und kristallstruktur von arsen(III)arsen(V)oxidhydroxid As3O5(OH)
;
_journal_name_full               'Zeitschrift fur Naturforschung'
_journal_page_first              138
_journal_page_last               140
_journal_volume                  B37
_journal_year                    1982
_chemical_formula_sum            'As3 O6 H'
_chemical_name_mineral           As3O5(OH)
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.08
_cell_angle_gamma                90
_cell_length_a                   12.504
_cell_length_b                   4.593
_cell_length_c                   10.976
_cell_volume                     556.162
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 -0.03690 0.25020 0.13640
As2 0.44380 -0.05310 0.13720
As3 0.24130 0.10760 0.22520
O1 0.04200 0.38950 0.30810
O2 0.10020 0.21190 0.11620
O3 0.29030 -0.01830 0.11790
O4 0.49400 0.30990 0.19070
O-H5 0.23320 -0.16110 0.31980
O6 0.32330 0.36860 0.31750
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
As1 0.01200 0.00900 0.01500 0.00100 0.00600 0.00200
As2 0.01300 0.01000 0.01700 -0.00100 0.00800 -0.00200
As3 0.02100 0.01900 0.03000 0.00100 0.01300 0.00000
O1 0.01800 0.01500 0.01300 0.00500 0.00700 0.00200
O2 0.01400 0.02200 0.02400 0.00100 0.01300 0.00500
O3 0.01400 0.02000 0.03400 -0.00200 0.01300 -0.00900
O4 0.02200 0.01100 0.02000 -0.00100 0.01400 0.00300
OH5 0.03400 0.02000 0.03500 0.01000 0.02700 0.01100
O6 0.01700 0.01600 0.02800 0.00100 0.01000 -0.00800