#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007964.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_9007964
loop_
_publ_author_name
'Weil M'
_publ_section_title
;
 ZnHg(AsO4)(OH) with a descloizite-type structure
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i25
_journal_page_last               i27
_journal_volume                  60
_journal_year                    2004
_chemical_formula_sum            'As H Hg O5 Zn'
_[local]_cod_chemical_formula_sum_orig 'Zn Hg As O5 H'
_chemical_name_mineral           ZnHg(AsO4)(OH)
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.6826
_cell_length_b                   6.2459
_cell_length_c                   8.6691
_cell_volume                     415.985
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn 0.00000 0.00000 0.00000 0.00928
Hg 0.39038 0.25000 0.82965 0.01511
As 0.35298 0.25000 0.18336 0.00693
O1 0.36640 0.02450 0.28870 0.01220
O2 0.01410 0.25000 0.45320 0.01420
O3 0.16820 0.25000 0.07680 0.01080
O4 0.36110 0.25000 0.58790 0.00860
H 0.26400 0.25000 0.55600 0.03000
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
Zn 0.01130 0.00770 0.00880 0.00070 -0.00050 0.00040
Hg 0.01543 0.02212 0.00777 0.00000 0.00061 0.00000
As 0.00740 0.00720 0.00620 0.00000 -0.00175 0.00000
O1 0.01480 0.01090 0.01090 0.00000 -0.00290 0.00160
O2 0.01050 0.02300 0.00970 0.00000 -0.00320 0.00000
O3 0.00820 0.00720 0.01700 0.00000 -0.00590 0.00000
O4 0.00330 0.01200 0.01100 0.00000 0.00300 0.00000