data_global
_chemical_name_mineral 'Behoite'
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: combined X-ray and Neutron diffraction
;
_database_code_amcsd 0018271
_chemical_formula_sum 'Be O2 H2'
_cell_length_a 4.5328
_cell_length_b 4.6252
_cell_length_c 7.0379
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 147.550
_exptl_crystal_density_diffrn      1.937
_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
Be   0.03040   0.70730   0.62590   0.01077
O1   0.19150   0.10590   0.04260   0.01267
O2   0.15710   0.42180   0.73160   0.01216
H1   0.26860   0.09580   0.55770   0.03014
H2   0.35310   0.43720   0.77900   0.03141
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
Be 0.00810 0.00800 0.00930 0.00030 0.00120 0.00110
O1 0.01180 0.00510 0.01310 0.00080 0.00370 0.00080
O2 0.00850 0.00700 0.01330 0.00050 0.00020 0.00290
H1 0.02100 0.01700 0.03300 0.00600 0.00100 -0.00100
H2 0.01900 0.03100 0.02400 -0.00300 0.00300 0.00800