data_global
_chemical_name_mineral 'Hemimorphite'
loop_
_publ_author_name
'McDonald W S'
'Cruickshank D W J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 124 
_journal_year 1967
_journal_page_first 180
_journal_page_last 191
_publ_section_title
;
 Refinement of the structure of hemimorphite
 Barclay and Cox (1960)
 Note: Diffractometer Data
;
_database_code_amcsd 0010636
_chemical_compound_source 'sample is from the same batch of crystals used by'
_chemical_formula_sum 'Zn2 Si O5 H2'
_cell_length_a 8.373
_cell_length_b 10.718
_cell_length_c 5.12
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 459.478
_exptl_crystal_density_diffrn      3.482
_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
Zn   0.20440   0.16120   0.00000
Si   0.00000   0.14630   0.50540
O1   0.15900   0.20670   0.63780
O2   0.00000   0.16560   0.19090
O-H3   0.30710   0.00000   0.03560
O4   0.00000   0.00000   0.58960
Wat5   0.50000   0.00000   0.50900
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 0.00800 0.01200 0.01200 -0.00250 0.00100 0.00050
Si 0.00500 0.00900 0.00900 0.00000 0.00000 -0.00100
O1 0.00500 0.02000 0.01500 -0.00650 -0.00100 0.00150
O2 0.00700 0.02400 0.01600 0.00000 0.00000 -0.00300
O-H3 0.02500 0.00900 0.03700 0.00000 -0.00850 0.00000
O4 0.01400 0.01100 0.01600 0.00000 0.00000 0.00000
Wat5 0.04000 0.14000 0.06200 0.00000 0.00000 0.00000