data_global
_chemical_name_mineral 'Wulfingite'
loop_
_publ_author_name
'Stahl R'
'Jung C'
'Lutz H D'
'Kockelmann W'
'Jacobs H'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 624 
_journal_year 1998
_journal_page_first 1130
_journal_page_last 1136
_publ_section_title
;
 Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2
 und epsilon-Zn(OH)2
 Note: X-ray single-crystal
;
_database_code_amcsd 0018272
_chemical_formula_sum 'Zn O2 H2'
_cell_length_a 4.905
_cell_length_b 5.143
_cell_length_c 8.473
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 213.743
_exptl_crystal_density_diffrn      3.089
_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   0.07096   0.64832   0.62420   0.01278
O1   0.11550   0.12560   0.07950   0.01482
O2   0.16700   0.31720   0.71980   0.01494
H1   0.50100   0.36000   0.85700   0.01267
H2   0.28000   0.79000   0.17000   0.01267
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 0.01323 0.01253 0.01256 0.00020 0.00030 0.00050
O1 0.01320 0.01640 0.01480 0.00180 0.00110 0.00080
O2 0.01790 0.01180 0.01490 0.00250 0.00350 0.00160