#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009796.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009796
_chemical_name 'Behoite'
loop_
_publ_author_name
'Seitz A'
'Rosler U'
'Schubert K'
_journal_name_full "Zeitschrift fur Anorganische und Allgemeine Chemie"
_journal_volume 261
_journal_year 1950
_journal_page_first 94
_journal_page_last 105
_publ_section_title
;
 Kristallstruktur von beta-Be(OH)2
;
_chemical_formula_sum 'Be O2 H2'
_cell_length_a 4.620
_cell_length_b 7.039
_cell_length_c 4.535
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 147.479
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,-y,1/2-z'
  '-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Be   0.04700   0.12500   0.22000
O-H1   0.34500   0.01500   0.09000
O-H2   0.14000   0.28500   0.44000