#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$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 loop_ _publ_author_name 'Seitz A' 'Rosler U' 'Schubert K' _publ_section_title ; Kristallstruktur von beta-Be(OH)2 ; _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_page_first 94 _journal_page_last 105 _journal_volume 261 _journal_year 1950 _chemical_formula_sum 'Be H2 O2' _[local]_cod_chemical_formula_sum_orig 'Be O2 H2' _chemical_name_mineral Behoite _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.620 _cell_length_b 7.039 _cell_length_c 4.535 _cell_volume 147.479 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