#------------------------------------------------------------------------------
#$Date: 2017-04-04 12:42:45 +0300 (Tue, 04 Apr 2017) $
#$Revision: 194762 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/56/1545673.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_1545673
loop_
_publ_author_name
'Banno, H.'
'Ichikawa, S.'
'Takeda, S.'
'Asaka, T.'
'Colas, M.'
'Thomas, P.'
'Fukuda, K.'
_publ_section_title
;
 Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 298 K
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              364
_journal_page_last               370
_journal_volume                  125
_journal_year                    2017
_chemical_formula_sum            'Al6 O16 S Sr4'
_chemical_name_common            Sr4Al6O12SO4
_space_group_IT_number           27
_space_group_name_H-M_alt        'P c c 2'
_symmetry_space_group_name_Hall  'P 2 -2c'
_symmetry_space_group_name_H-M   'P c c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3231(2)
_cell_length_b                   13.3242(2)
_cell_length_c                   9.37918(6)
_cell_volume                     1664.99(4)
_cod_data_source_file            Sr4Al6O12SO4298K.cif
_cod_data_source_block           Sr4Al2O12SO4@298K
_cod_original_formula_sum        'Sr4 Al6 S1 O16'
_cod_database_code               1545673
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, z+1/2'
'-x, y, z+1/2'
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_U_iso_or_equiv
_atom_site_type_symbol
Sr1 1.0 0.0270(4) 0.2485(5) 0.523(3) Uiso 0.021200 Sr
Sr2 1.0 0.2489(5) 0.5501(4) 0.441(3) Uiso 0.009500 Sr
Sr3 1.0 0.2491(7) 0.0065(4) 0.001(3) Uiso 0.018000 Sr
Sr4 1.0 0.5488(4) 0.2493(5) 0.054(3) Uiso 0.023000 Sr
S 1.0 0.244(2) 0.2338(9) 0.753(3) Uiso 0.024000 S
Al1 1.0 0.500000 0.000000 0.009(5) Uiso 0.023000 Al
Al2 1.0 0.500000 0.500000 0.497(3) Uiso 0.023000 Al
Al3 1.0 0.000000 0.500000 0.492(5) Uiso 0.023000 Al
Al4 1.0 0.000000 0.000000 0.000000 Uiso 0.023000 Al
Al5 1.0 0.377(2) 0.377(2) 0.246(4) Uiso 0.023000 Al
Al6 1.0 0.126(2) 0.127(2) 0.249(4) Uiso 0.023000 Al
Al7 1.0 0.376(2) 0.127(2) 0.258(4) Uiso 0.023000 Al
Al8 1.0 0.127(2) 0.377(2) 0.237(4) Uiso 0.023000 Al
O1 1.0 0.269(2) 0.188(2) 0.615(4) Uiso 0.011900 O
O2 1.0 0.142(2) 0.725(2) 0.250(4) Uiso 0.011900 O
O3 1.0 0.750(3) 0.1557(13) 0.364(4) Uiso 0.011900 O
O4 1.0 0.683(2) 0.313(2) 0.288(4) Uiso 0.011900 O
O5 1.0 0.406(3) 0.253(4) 0.290(5) Uiso 0.011900 O
O6 1.0 0.439(3) 0.095(4) 0.103(6) Uiso 0.011900 O
O7 1.0 0.442(3) 0.404(4) 0.090(6) Uiso 0.011900 O
O8 1.0 0.251(5) 0.093(3) 0.235(5) Uiso 0.011900 O
O9 1.0 0.413(3) 0.072(4) 0.416(6) Uiso 0.011900 O
O10 1.0 0.085(3) 0.073(4) 0.406(5) Uiso 0.011900 O
O11 1.0 0.252(5) 0.409(3) 0.205(4) Uiso 0.011900 O
O12 1.0 0.091(3) 0.438(4) 0.395(5) Uiso 0.011900 O
O13 1.0 0.404(3) 0.445(3) 0.401(5) Uiso 0.011900 O
O14 1.0 0.095(3) 0.252(4) 0.266(5) Uiso 0.011900 O
O15 1.0 0.058(3) 0.403(3) 0.085(6) Uiso 0.011900 O
O15 1.0 0.069(3) 0.088(4) 0.093(6) Uiso 0.011900 O
