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: X-ray single-crystal
;
_database_code_amcsd 0018269
_chemical_formula_sum 'Be O2 H2'
_cell_length_a 4.530
_cell_length_b 4.621
_cell_length_c 7.048
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 147.537
_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   0.70870   0.62680   0.00811
O1   0.19210   0.10670   0.04280   0.01026
O2   0.15690   0.42140   0.73130   0.00912
H1   0.32000   0.06000   0.55200   0.01393
H2   0.32000   0.44000   0.78000   0.01393
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 0.01100 0.00500 0.00800 0.00000 0.00100 0.00000
O1 0.00940 0.00630 0.01520 0.00100 0.00380 0.00140
O2 0.00630 0.00680 0.01440 0.00010 0.00030 0.00270