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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/35/8103582.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_8103582
loop_
_publ_author_name
'Pawel, A.'
'Heller, G.'
'Pickardt, J.'
_publ_section_title
;
 Die Kristallstruktur des Dilithium tetrahydroxo-di-mue-peroxo-diborats
 (Lithiumperoxoborats), Li2 (B2 (O2)2 (O H)4)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              251
_journal_page_last               257
_journal_volume                  157
_journal_year                    1981
_chemical_formula_sum            'B2 H4 Li2 O8'
_chemical_name_systematic        'Li2 (B2 (O2)2 (O H)4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.98
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.04
_cell_length_b                   7.88
_cell_length_c                   5.085
_cell_volume                     279.360
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Pawel_ZEKRDZ_1981_529.cif
_cod_data_source_block           H4B2Li2O8
_cod_original_cell_volume        279.3598
_cod_original_formula_sum        'H4 B2 Li2 O8'
_cod_database_code               8103582
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B1 B+3 0.1993 0.5319 0.0274 1 0.0
O4 O-1 0.1019 0.4967 0.2653 1 0.0
Li1 Li+1 0.1007 0.3267 0.5634 1 0.0
H1 H+1 0.337 0.701 0.209 1 0.0
H2 H+1 0.366 0.368 -0.086 1 0.0
O2 O-2 0.254 0.3748 -0.0903 1 0.0
O3 O-1 0.0556 0.6246 -0.1711 1 0.0
O1 O-2 0.3541 0.6484 0.0973 1 0.0
