#------------------------------------------------------------------------------
#$Date: 2017-01-23 11:29:23 +0200 (Mon, 23 Jan 2017) $
#$Revision: 190836 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/51/1545125.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_1545125
loop_
_publ_author_name
'Ihara, M.'
'Imai, K.'
'Fukunaga, J.'
'Yoshida, N.'
_publ_section_title
;
 Crystal structure of boroaluminate, 9Al2O3*2B2O3
;
_journal_name_full               Yogyo-Kyokai-Shi
_journal_page_first              77
_journal_page_last               84
_journal_volume                  88
_journal_year                    1980
_chemical_formula_sum            'Al18 B4 O33'
_chemical_name_common            9Al2O3*2B2O3
_space_group_IT_number           36
_space_group_name_H-M_alt        'C m c 21'
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.682(13)
_cell_length_b                   14.973(34)
_cell_length_c                   7.692(17)
_cell_volume                     654(3)
_cod_data_source_file            Al18B4O33.cif
_cod_data_source_block           Al18B4O33
_cod_database_code               1545125
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, z+1/2'
'-x, y, z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
B 1.0 0.000000 0.02(3) 0.23(3) Biso 1.500000 B
Al1 1.0 0.249(5) 0.383(4) 0.000000 Biso 1.000000 Al
Al2 1.0 0.500000 0.245(7) 0.186(9) Biso 1.400000 Al
Al3 1.0 0.500000 0.056(7) 0.182(9) Biso 1.200000 Al
Al4 1.0 0.000000 0.296(6) 0.334(8) Biso 1.000000 Al
O1 1.0 0.210(12) 0.048(11) 0.282(13) Biso 1.500000 O
O2 1.0 0.242(11) 0.310(11) 0.199(13) Biso 1.400000 O
O3 1.0 0.500000 0.148(16) 0.035(18) Biso 1.600000 O
O4 1.0 0.000000 0.191(15) 0.435(17) Biso 1.100000 O
O5 1.0 0.500000 0.171(16) 0.370(18) Biso 1.400000 O
O6 1.0 0.000000 0.454(15) 0.074(18) Biso 1.300000 O
O7 1.0 0.500000 0.455(15) 0.094(16) Biso 0.900000 O
