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 = 120 K
;
_database_code_amcsd 0015825
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Zn O2 D2'
_cell_length_a 4.88877
_cell_length_b 5.12854
_cell_length_c 8.5029
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 213.187
_exptl_crystal_density_diffrn      3.160
_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   0.07180   0.64860   0.62410   0.00519
O1   0.11570   0.12490   0.07910   0.00773
O2   0.16930   0.31690   0.72110   0.00684
D1   0.47130   0.35920   0.84220   0.02039
D2   0.25600   0.81760   0.15130   0.02014
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 0.00280 0.00530 0.00410 -0.00170 0.00070 0.00230
O1 0.00300 0.00900 0.00630 -0.00010 -0.00220 0.00320
O2 0.00710 0.00310 0.00600 0.00090 0.00030 0.00160
D1 0.01450 0.02060 0.01320 0.00180 -0.00160 0.00170
D2 0.01920 0.01560 0.01300 0.00360 -0.00250 0.00170