data_global
_chemical_name_mineral 'Hemimorphite'
loop_
_publ_author_name
'Libowitzky E'
'Kohler T'
'Armbruster T'
'Rossman G R'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 9 
_journal_year 1997
_journal_page_first 803
_journal_page_last 810
_publ_section_title
;
 Proton disorder in dehydrated hemimorphite - IR spectroscopy
 and X-ray structure refinement at low and ambient temperatures
 T = 110 K
;
_database_code_amcsd 0006696
_chemical_formula_sum 'Zn4 Si2 O9 H2'
_cell_length_a 8.181
_cell_length_b 10.841
_cell_length_c 5.081
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 450.635
_exptl_crystal_density_diffrn      3.418
_symmetry_space_group_name_H-M 'I m m 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zn   0.78969   0.84232   0.00000   1.00000   0.00475
Si   0.00000   0.85672   0.49080   1.00000   0.00384
O1   0.83620   0.79640   0.36490   1.00000   0.00600
O2   0.00000   0.84160   0.80840   1.00000   0.00600
O3   0.68260   0.00000   0.94530   1.00000   0.01290
O4   0.00000   0.00000   0.39670   1.00000   0.00660
H3   0.69000   0.00000   0.75900   0.50000   0.05000
H3*   0.56900   0.00000   0.98000   0.50000   0.05000
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 0.00602 0.00367 0.00458 -0.00075 -0.00007 0.00008
Si 0.00520 0.00260 0.00370 0.00000 0.00000 -0.00030
O1 0.00860 0.00650 0.00520 -0.00360 -0.00080 0.00080
O2 0.00670 0.00660 0.00490 0.00000 0.00000 0.00040
O3 0.00750 0.00440 0.02670 0.00000 -0.00070 0.00000
O4 0.01020 0.00260 0.00710 0.00000 0.00000 0.00000