# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2010

data_global

_journal_coden_Cambridge         182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'Haiyan Du.'
'Sha Li.'
'Jiachen Liu.'
'Rui Xu.'
'Pengyu Zhang.'

_publ_contact_author_name        'Haiyan Du'
_publ_contact_author_email       HYDU1964@GMAIL.COM

_publ_section_title              
;
A facile preparation of mullite
[Al2(Al2.8Si1.2)O9.6] nanowires by B2O3-doped molten salts synthesis
;

# Attachment 'Al2(Al2.8Si1.2)O9.6.cif'

data_66263-ICSD
_database_code_depnum_ccdc_archive 'CCDC 760732'
#TrackingRef 'Al2(Al2.8Si1.2)O9.6.cif'

#?2006 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States. All rights reserved.
_database_code_ICSD              66263
_audit_creation_date             1992/08/20
_audit_update_record             1998/06/29
_chemical_name_systematic        
;
Aluminium Silicon Oxide (4.8/1.2/9.6)
;
_chemical_formula_structural     'Al2 (Al2.8 Si1.2) O9.6'
_chemical_formula_sum            'Al4.8 O9.6 Si1.2'
_chemical_name_mineral           Mullite
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'American Mineralogist' 1991 76 332 342 AMMIAY
2 'American Mineralogist' 1986 71 1476 1482 AMMIAY
_cell_length_a                   7.588(2)
_cell_length_b                   7.688(2)
_cell_length_c                   2.8895(6)
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_volume                     168.56
_cell_formula_units_Z            1
_symmetry_space_group_name_H-M   'P b a m'
_symmetry_Int_Tables_number      55
_refine_ls_R_factor_all          .037
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x+.5, -y+.5, z'
2 '-x+.5, y+.5, z'
3 'x, y, -z'
4 '-x, -y, -z'
5 '-x+.5, y+.5, -z'
6 'x+.5, -y+.5, -z'
7 '-x, -y, z'
8 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 3
O2- -2
Si4+ 4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Al1 Al3+ 2 a 0 0 0 1. 0
Al2 Al3+ 4 h 0.1490(1) 0.3400(1) 0.5 0.55(2) 0
Si1 Si4+ 4 h 0.1490(1) 0.3400(1) 0.5 0.25(2) 0
Al3 Al3+ 4 h 0.2625(5) 0.2067(5) 0.5 0.15(2) 0
Si2 Si4+ 4 h 0.2625(5) 0.2067(5) 0.5 0.05(2) 0
O1 O2- 4 h 0.35838(7) 0.42238(8) 0.5 1. 0
O2 O2- 2 d 0.5 0 0.5 0.4 0
O3 O2- 4 h 0.4495(5) 0.0509(5) 0.5 0.2 0
O4 O2- 4 g 0.12733(7) 0.21843(7) 0 1. 0

#End of data_66263-ICSD
#TrackingRef 'Al2(Al2.8Si1.2)O9.6.cif'