data_global
_amcsd_formula_title 'ZnHg(AsO4)(OH)'
loop_
_publ_author_name
'Weil M'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 60 
_journal_year 2004
_journal_page_first i25
_journal_page_last i27
_publ_section_title
;
 ZnHg(AsO4)(OH) with a descloizite-type structure
;
_database_code_amcsd 0010422
_chemical_formula_sum 'Zn Hg As O5 H'
_cell_length_a 7.6826
_cell_length_b 6.2459
_cell_length_c 8.6691
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 415.985
_exptl_crystal_density_diffrn      6.737
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_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