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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530960.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_1530960
loop_
_publ_author_name
'Vlasse, M.'
'Levasseur, A.'
'Hagenmuller, P.'
_publ_section_title
;
 Crystal structure of Li5 B7 O12.5 Cl at 296 and 425 k
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              33
_journal_page_last               37
_journal_volume                  2
_journal_year                    1981
_chemical_formula_sum            'B7 Cl Li5 O12.5'
_chemical_name_systematic        'Li5 B7 O12.5 Cl'
_space_group_IT_number           196
_symmetry_space_group_name_Hall  'F 2 2 3'
_symmetry_space_group_name_H-M   'F 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.136
_cell_length_b                   12.136
_cell_length_c                   12.136
_cell_volume                     1787.420
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Vlasse_SSIOD3_1981_667.cif
_cod_data_source_block           B7Cl1Li5O12.5
_cod_original_cell_volume        1787.42
_cod_original_formula_sum        'B7 Cl1 Li5 O12.5'
_cod_database_code               1530960
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
z,x+1/2,y+1/2
-z,-x+1/2,y+1/2
z,-x+1/2,-y+1/2
-z,x+1/2,-y+1/2
y,z+1/2,x+1/2
y,-z+1/2,-x+1/2
-y,z+1/2,-x+1/2
-y,-z+1/2,x+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
z+1/2,x,y+1/2
-z+1/2,-x,y+1/2
z+1/2,-x,-y+1/2
-z+1/2,x,-y+1/2
y+1/2,z,x+1/2
y+1/2,-z,-x+1/2
-y+1/2,z,-x+1/2
-y+1/2,-z,x+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
z+1/2,x+1/2,y
-z+1/2,-x+1/2,y
z+1/2,-x+1/2,-y
-z+1/2,x+1/2,-y
y+1/2,z+1/2,x
y+1/2,-z+1/2,-x
-y+1/2,z+1/2,-x
-y+1/2,-z+1/2,x
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
B3 B+3 0.6009 0.6009 0.6009 1 0.0
O2 O-2 0.0226 0.1825 0.599 1 0.0
O1 O-2 0.0197 0.0973 0.1805 1 0.0
Li2 Li+1 0.8654 0.8654 0.8654 1 0.0
O3 O-2 0 0 0 1 0.0
Li1 Li+1 0.25 0.25 0.0421 1 0.0
Cl1 Cl-1 0.25 0.25 0.25 1 0.0
Cl2 Cl-1 0.75 0.75 0.75 1 0.0
B2 B+3 0.0808 0.0808 0.0808 1 0.0
B1 B+3 0 0 0.2519 1 0.0
