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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/17/1511703.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_1511703
loop_
_publ_author_name
'Dimitrova, O.V.'
'Merlino, S.'
'Pasero, M.'
'Gobechiya, E.R.'
'Pushcharovskii, D.Yu.'
_publ_section_title
;
 Hydrothermal synthesis and crystal structures of (Li, Ba)- nanoborate, Li
 Ba B9 O15, and Ba-borophosphate, Ba B P O5
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              70
_journal_page_last               75
_journal_paper_doi               10.1016/S0925-8388(01)02017-5
_journal_volume                  339
_journal_year                    2002
_chemical_formula_sum            'B9 Ba Li O15'
_chemical_name_systematic        'Li Ba (B9 O15)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.982
_cell_length_b                   10.982
_cell_length_c                   17.067
_cell_volume                     1782.587
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron4-x_367.cif
_cod_data_source_block           B9Ba1Li1O15
_cod_original_formula_sum        'B9 Ba1 Li1 O15'
_cod_database_code               1511703
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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 0.2681 0.8699 0.9784 1 0.0
O1 O-2 0.2263 0.1148 0.8732 1 0.0
O2 O-2 0.2521 0.9837 0.9726 1 0.0
Li1 Li+1 0.3333 0.6667 0.9167 1 0.0
B2 B+3 0.3333 0.0974 0.9167 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O3 O-2 0 0.1719 0.25 1 0.0
