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#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/05/2000585.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_2000585
loop_
_publ_author_name
'Huang, Q.'
'Lu, S.'
'Dai, G.'
'Liang, J.'
_publ_section_title
;
 A new type of borate double salt: structure of LiBa~2~B~5~O~10~
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1576
_journal_page_last               1578
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'B5 Ba2 Li O10'
_chemical_formula_weight         495.67
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.30(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.413(2)
_cell_length_b                   14.585(9)
_cell_length_c                   6.700(4)
_cell_volume                     417.9(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    9.41
_exptl_crystal_density_diffrn    3.94
_exptl_crystal_density_meas      3.90
_exptl_crystal_F_000             440
_[local]_cod_data_source_file    li0114.cif
_[local]_cod_data_source_block   li0114a
_[local]_cod_cif_authors_sg_H-M  'P 21/m'
_[local]_cod_chemical_formula_sum_orig 'B5 Ba2 Li1 O10'
_cod_original_cell_volume        417.9(7)
_cod_database_code               2000585
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba .33625(5) .08851(2) .69725(4)
O1 .7206(6) .0862(2) 1.1024(4)
O2 -.1688(7) -.0124(2) .6912(5)
O3 .6201(9) .2500 .0819(6)
O4 .6680(7) .1676(2) .4037(4)
O5 -.2200(6) -.1451(2) .8950(4)
O6 -.0490(10) .2500 .6953(7)
B1 -.0479(9) -.0790(3) .8218(6)
B2 .7690(10) .2500 .5014(9)
B3 .5592(9) .1635(3) 1.1772(6)
Li -.013(2) .2500 .977(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Li O3 1.920(10)
Li O6 1.860(10)
Li O5 1.924(6)
B1 O1 1.412(5)
B1 O2 1.328(5)
B1 O5 1.390(5)
B2 O4 1.387(5)
B2 O6 1.350(7)
B3 O1 1.485(5)
B3 O3 1.469(5)
B3 O4 1.475(5)
B3 O5 1.480(5)
_journal_paper_doi 10.1107/S0108270191013549