data_global
_chemical_name_mineral 'Wulfingite'
loop_
_publ_author_name
'Jacobs H'
'Niemann A'
'Kockelmann W'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 631 
_journal_year 2005
_journal_page_first 1247
_journal_page_last 1254
_publ_section_title
;
 Low temperature investigations of hydrogen bridge bonds in the hydroxides
 beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction
 Sample: T = 50 K
;
_database_code_amcsd 0015826
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Zn O2 D2'
_cell_length_a 4.88626
_cell_length_b 5.12609
_cell_length_c 8.5066
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 213.068
_exptl_crystal_density_diffrn      3.162
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn   0.07170   0.64830   0.62390   0.00291
O1   0.11540   0.12410   0.07930   0.00519
O2   0.17000   0.31710   0.72120   0.00393
D1   0.47130   0.35920   0.84210   0.01824
D2   0.25530   0.81790   0.15150   0.01773
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 0.00110 0.00320 0.00240 -0.00090 0.00020 0.00120
O1 0.00180 0.00700 0.00350 0.00070 -0.00090 0.00250
O2 0.00440 0.00130 0.00350 0.00070 0.00130 0.00090
D1 0.01370 0.01850 0.01120 0.00200 -0.00270 0.00020
D2 0.01720 0.01230 0.01240 0.00240 -0.00310 0.00180