#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310701.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_2310701
loop_
_publ_author_name
'Zachariasen, W.H.'
_publ_section_title
;
 The crystal structure of lithium metaborate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              749
_journal_page_last               751
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'B Li O2'
_chemical_name_systematic        'Li (B O2)'
_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                 115.12
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.838
_cell_length_b                   4.348
_cell_length_c                   6.449
_cell_volume                     148.216
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Zachariasen_ACCRA9_1964_150.cif
_cod_data_source_block           B1Li1O2
_cod_original_cell_volume        148.2164
_cod_original_formula_sum        'B1 Li1 O2'
_cod_database_code               2310701
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
O1 O-2 0.0846 0.355 0.2592 1 0.0
B1 B+3 0.1233 0.6735 0.272 1 0.0
O2 O-2 0.3548 0.7741 0.3169 1 0.0
Li1 Li+1 0.4322 0.2131 0.3437 1 0.0
