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 = 298 K
;
_database_code_amcsd 0015824
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Zn O2 D2'
_cell_length_a 4.90855
_cell_length_b 5.14641
_cell_length_c 8.4880
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 214.419
_exptl_crystal_density_diffrn      3.142
_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   0.07100   0.65000   0.62390   0.01191
O1   0.11660   0.12780   0.07920   0.01532
O2   0.16600   0.31780   0.71970   0.01608
D1   0.47340   0.35930   0.84200   0.03027
D2   0.25870   0.81620   0.15060   0.03040
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 0.00650 0.01160 0.01020 -0.00620 0.00020 0.00350
O1 0.00720 0.01700 0.01200 -0.00260 -0.00470 0.00390
O2 0.01600 0.00770 0.01440 0.00230 0.00240 0.00380
D1 0.02060 0.03030 0.02100 0.00390 -0.00060 0.00100
D2 0.02800 0.02100 0.02360 0.00320 -0.00180 0.00180