#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510719.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_1510719
loop_
_publ_author_name
'Nowogrocki, G.'
'Penin, N.'
'Touboul, M.'
_publ_section_title
;
 Crystal structure of a new lithium indium borate Li3 In B2 O6
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              461
_journal_page_last               468
_journal_paper_doi               10.1016/S1293-2558(00)01144-4
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'B2 In Li3 O6'
_chemical_name_systematic        'Li3 In (B2 O6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.112
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.168
_cell_length_b                   8.899
_cell_length_c                   10.099
_cell_volume                     464.366
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            boron_204.cif
_cod_data_source_block           B2In1Li3O6
_cod_original_cell_volume        464.3659
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'B2 In1 Li3 O6'
_cod_database_code               1510719
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
O6 O-2 0.2001 0.0374 0.3612 1 0.0
O1 O-2 0.4043 0.1539 0.0899 1 0.0
O3 O-2 0.8264 0.055 0.1208 1 0.0
B1 B+3 0.6629 0.1736 0.1201 1 0.0
Li1 Li+1 0.828 0.346 0.381 1 0.0
O5 O-2 0.2046 0.2992 0.3356 1 0.0
O4 O-2 0.5885 0.1704 0.4109 1 0.0
Li2 Li+1 0.657 0.525 0.169 1 0.0
Li3 Li+1 0.324 0.485 0.399 1 0.0
B2 B+3 0.3329 0.1681 0.3689 1 0.0
O2 O-2 0.7515 0.3171 0.1502 1 0.0
In1 In+3 0.14845 0.32611 0.12343 1 0.0
