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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/1/53/45/1534566.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_1534566
loop_
_publ_author_name
'Lieb, A.'
'Schnick, W.'
_publ_section_title
;
 Ba Sm5 [Si9 Al3 N20] O - a nitridoaluminosilicate oxide with a new
 structure type composed of star-shaped [N(4) ((Si,Al) N3)4] units as
 secondary building units
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              185
_journal_page_last               191
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'Al3 Ba N20 O Si9 Sm5'
_chemical_name_systematic        'Ba Sm5 (Si9 Al3 N20) O'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.5294
_cell_length_b                   9.5294
_cell_length_c                   6.1262
_cell_volume                     481.785
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Lieb_SSSCFJ_2006_920.cif
_cod_data_source_block           Al3Ba1N20O1Si9Sm5
_cod_original_cell_volume        481.7846
_cod_original_formula_sum        'Al3 Ba1 N20 O1 Si9 Sm5'
_cod_database_code               1534566
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
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
Ba1 Ba+2 0 1 0 1 0.0
N1 N-3 0 0.5197 0 1 0.0
N3 N-3 0.2218 0.7988 -0.2513 1 0.0
Al2 Al+3 0.392 1.0006 -0.2527 0.25 0.0
Al1 Al+3 0.18252 0.7149 0.0009 0.25 0.0
Sm2 Sm+3 0.3333 0.6667 0.5002 1 0.0
N5 N-3 0.4875 1 -0.5 1 0.0
N4 N-3 0.1891 0.8427 0.2093 1 0.0
O1 O-2 0 1 0.5 1 0.0
Si1 Si+4 0.18252 0.7149 0.0009 0.75 0.0
Si2 Si+4 0.392 1.0006 -0.2527 0.75 0.0
Sm1 Sm+3 0 0.7523 0.5 1 0.0
N2 N-3 0.3333 0.6667 0.0799 1 0.0
