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: Neutron diffraction
;
_database_code_amcsd 0018270
_chemical_formula_sum 'Be O2 D2'
_cell_length_a 4.5336
_cell_length_b 4.6255
_cell_length_c 7.0384
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 147.596
_exptl_crystal_density_diffrn      2.027
_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   0.03020   0.70770   0.62610   0.01077
O1   0.19300   0.10400   0.04130   0.01355
O2   0.15200   0.42400   0.72940   0.02546
D1   0.26700   0.09600   0.59830   0.03154
D2   0.35200   0.43400   0.77800   0.03268
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 0.00700 0.01300 0.00700 -0.00500 0.00400 -0.00900
O1 0.00900 0.01100 0.01200 0.00700 0.00300 0.00100
O2 0.01000 0.01300 0.00800 0.00000 -0.00500 0.00500
D1 0.02600 0.01500 0.03300 0.00600 0.00700 -0.00200
D2 0.02100 0.02500 0.03100 0.00100 -0.00100 0.00500