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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/1/51/13/1511386.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_1511386
loop_
_publ_author_name
'Belokoneva, E.L.'
'Dimitrova, O.V.'
'Ruchkina, E.A.'
_publ_section_title
;
 Synthesis and crystal structure of the new lithium-enriched hexaborate
 (Li5.5 Fe0.5) Fe Pb (B6 O12)2 with the original helical chain (B3(box)
 B3(Delta) O12)6-(infin)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              25
_journal_page_last               32
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'B12 Fe1.5 Li5.5 O24 Pb'
_chemical_name_systematic        '(Li5.5 Fe0.5) Fe Pb (B6 O12)2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.71
_cell_length_b                   14.71
_cell_length_c                   6.554
_cell_volume                     1228.181
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            boron0-1_529.cif
_cod_data_source_block           B12Fe1.5Li5.5O24Pb1
_cod_original_formula_sum        'B12 Fe1.5 Li5.5 O24 Pb1'
_cod_database_code               1511386
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
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
-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
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
-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
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
Fe1 Fe+3 0 0 0 1 0.0
B2 B+3 0.3629 0.0563 0.9183 1 0.0
B1 B+3 0.5241 0.1316 0.1437 1 0.0
O4 O-2 0.4652 0.1444 0.9905 1 0.0
Fe2 Fe+3 0.5052 0.0971 0.5866 0.083 0.0
O1 O-2 0.1255 0.0861 0.8238 1 0.0
O2 O-2 0.6663 0.0376 0.962 1 0.0
Pb1 Pb+2 0 0 0.5 1 0.0
Li1 Li+1 0.5052 0.0971 0.5866 0.917 0.0
O3 O-2 0.4771 0.0493 0.2792 1 0.0
