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#$Date: 2020-02-28 04:07:43 +0200 (Fri, 28 Feb 2020) $
#$Revision: 248514 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/73/1557393.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_1557393
loop_
_publ_author_name
'Iwata, T.'
'Kaga, M.'
'Nakano, H.'
'Fukuda, K.'
_publ_section_title
;
 First discovery and structural characterization of a new compound in
 Al-Si-O-C system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2252
_journal_page_last               2260
_journal_paper_doi               10.1016/j.jssc.2009.06.014
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'C11 Al16.8 O3 Si1.2'
_chemical_name_common            '[Al16.8Si1.2][O3C11]'
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.036(1)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.7404(1)
_cell_length_b                   3.31435(5)
_cell_length_c                   19.2410(2)
_cell_volume                     366.073(9)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Al16.8Si1.2O3C11.cif
_cod_data_source_block           AlSiOC
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Al16.8 Si1.2 O3.0 C11.0'
_cod_database_code               1557393
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x,y,-z
4 x,-y,z
5 x+1/2,y+1/2,z
6 -x+1/2,-y+1/2,-z
7 -x+1/2,y+1/2,-z
8 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
AlSi1 0.5000 0.1530(10) 0.000000 0.51930(10) Biso 0.13(7) Al
AlSi2A 0.5000 0.157(2) 0.000000 0.2768(2) Biso 0.25(6) Al
AlSi2B 0.5000 0.172(2) 0.000000 0.25910(10) Biso 0.25(6) Al
AlSi3 1.0 0.1680(10) 0.000000 0.05120(10) Biso 0.86(4) Al
AlSi4 1.0 0.5018(8) 0.000000 0.17189(6) Biso 0.80(3) Al
AlSi5A 0.5000 0.502(2) 0.000000 0.3784(2) Biso 0.46(4) Al
AlSi5B 0.5000 0.504(3) 0.000000 0.3897(2) Biso 0.46(4) Al
C1 1.0 0.000000 0.500000 0.000000 Biso 0.72(7) C
C2 1.0 0.188(2) 0.000000 0.1506(2) Biso 0.72(7) C
COC1 0.486(14) 0.1270(10) 0.000000 0.42150(10) Biso 0.72(7) C
OOC1 0.514(14) 0.1270(10) 0.000000 0.42150(10) Biso 0.72(7) O
COC2 0.753(9) 0.5250(10) 0.000000 0.28420(10) Biso 0.72(7) C
OOC2 0.247(9) 0.5250(10) 0.000000 0.28420(10) Biso 0.72(7) O
