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#$Date: 2015-10-09 11:16:03 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161446 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534592.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_1534592
loop_
_publ_author_name
'Schlieper, T.'
'Milius, W.'
'Schnick, W.'
_publ_section_title
;
 Nirido-silicate. II: Hochtemperatur-Synthesen und Kristallstrukturen von
 Sr2 Si5 N8 und Ba2 Si5 N8
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1380
_journal_page_last               1384
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'Ba2 N8 Si5'
_chemical_name_systematic        'Ba2 Si5 N8'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.783
_cell_length_b                   6.959
_cell_length_c                   9.391
_cell_volume                     377.930
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schlieper_ZAACAB_1995_1737.cif
_cod_data_source_block           Ba2N8Si5
_cod_original_cell_volume        377.9304
_cod_database_code               1534592
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
-x,y,z
x+1/2,-y,z+1/2
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
Ba2 Ba+2 0 0.87881 0.63251 1 0.0
N6 N-3 0 0.42233 0.72949 1 0.0
Si1 Si+4 0.25087 0.66378 0.32069 1 0.0
Si2 Si+4 0 0.05224 0.3228 1 0.0
Si4 Si+4 0 0.39962 0.10357 1 0.0
N5 N-3 0 0.1736 0.16462 1 0.0
N1 N-3 0 0.1968 0.47209 1 0.0
Ba1 Ba+2 0 0.85444 0 1 0.0
N2 N-3 0.23918 0.9063 0.3306 1 0.0
Si3 Si+4 0 0.41854 0.53883 1 0.0
N3 N-3 0.24684 0.44764 0.99298 1 0.0
N4 N-3 0 0.57656 0.23459 1 0.0
