data_global
_chemical_name_mineral 'Behoite'
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 = 5 K
;
_database_code_amcsd 0015823
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Be O2 D2'
_cell_length_a 4.5259
_cell_length_b 4.6314
_cell_length_c 7.0193
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 147.133
_exptl_crystal_density_diffrn      2.033
_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   0.03400   0.70460   0.62740   0.01267
O1   0.18920   0.10810   0.04500   0.01900
O2   0.15270   0.41200   0.72760   0.01773
D1   0.27400   0.09400   0.56400   0.02533
D2   0.35200   0.42700   0.77860   0.02913
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 0.00900 0.01600 0.01400 0.00200 0.00900 -0.00600
O1 0.02600 0.01200 0.01800 0.00500 -0.00300 0.00000
O2 0.00900 0.02600 0.01800 -0.00700 -0.00600 -0.00400
D1 0.02600 0.02300 0.02600 0.00200 0.00200 -0.00400
D2 0.03000 0.03300 0.02500 0.00100 -0.01300 -0.00400