#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/17/2001750.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001750
loop_
_publ_author_name
'Cárdenas, A.'
'Solans, J.'
'Byrappa, K.'
'Shekar, K. V. K.'
_publ_section_title
;
 Structure of lithium
 catena-poly[3,4-dihydroxopentaborate-1:5-μ-oxo]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              645
_journal_page_last               647
_journal_paper_doi               10.1107/S0108270192008217
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'Li1,H2 B5 O9'
_chemical_formula_sum            'B5 H2 Li O9'
_chemical_formula_weight         207.0
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00(2)
_cell_angle_beta                 91.470(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   13.576(4)
_cell_length_b                   9.077(4)
_cell_length_c                   5.543(3)
_cell_volume                     682.8(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.206
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_F_000             408
_cod_data_source_file            mu0290.cif
_cod_data_source_block           mu0290_structure_1_of_1
_cod_original_cell_volume        682.8(4)
_cod_original_formula_sum        'H2 B5 Li1 O9'
_cod_database_code               2001750
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li .3038(2) .4035(3) .4778(6)
O(1) .09400(10) .4396(2) .6497(2)
O(2) .12000(10) .6059(2) .9602(3)
O(3) .14400(10) .7622(2) 1.2960(2)
O(4) .25130(10) .55820(10) .6943(2)
O(5) .27490(10) .72170(10) 1.0398(2)
O(6) .41290(10) .60950(10) .8606(2)
O(7) .31850(10) .80180(10) .6461(2)
O(8) .57930(10) .56780(10) .7410(2)
O(9) .48250(10) .74460(10) .5418(2)
B(1) .31390(10) .6733(2) .8132(3)
B(2) .15750(10) .5337(2) .7656(3)
B(3) .18050(10) .6966(2) 1.0958(3)
B(4) .49030(10) .6396(2) .7204(3)
B(5) .39860(10) .8302(2) .5157(3)
H(1) .087(3) .736(4) 1.333(8)
H(2) .576(2) .506(4) .872(7)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O(1) B(2) O(2) 115.30(10)
O(1) B(2) O(4) 123.40(10)
O(2) B(2) O(4) 121.30(10)
O(2) B(3) O(3) 118.90(10)
O(2) B(3) O(5) 122.3(2)
O(3) B(3) O(5) 118.8(2)
O(6) B(4) O(8) 123.40(10)
O(6) B(4) O(9) 120.50(10)
O(8) B(4) O(9) 116.10(10)
O(7) B(5) O(9) 120.70(10)
O(4) B(1) O(5) 112.40(10)
O(4) B(1) O(6) 108.00(10)
O(4) B(1) O(7) 107.80(10)
O(5) B(1) O(6) 108.40(10)
O(5) B(1) O(7) 108.90(10)
O(6) B(1) O(7) 111.30(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
B(2) O(1) 1.362(2)
B(2) O(2) 1.372(2)
B(2) O(4) 1.361(2)
B(3) O(2) 1.373(2)
B(3) O(3) 1.364(2)
B(3) O(5) 1.346(2)
B(4) O(6) 1.351(2)
B(4) O(8) 1.374(2)
B(4) O(9) 1.376(2)
B(5) O(7) 1.347(2)
B(5) O(9) 1.382(2)
B(5) O(1) 1.357(2)
B(1) O(4) 1.489(2)
B(1) O(5) 1.445(2)
B(1) O(6) 1.481(2)
B(1) O(7) 1.492(2)
