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#$Date: 2015-07-11 17:34:04 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145326 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/35/8103554.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_8103554
loop_
_publ_author_name
'Hesse, K.F.'
'Liebau, F.'
_publ_section_title
;
 Crystal chemistry of silica-rich barium silicates refinement of the
 crystal structures of Ba4 (Si6 O16), Ba5 (Si8 O21) and Ba6 (Si10 O26),
 silicates with triple quadruple and quintuple chains
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              3
_journal_page_last               17
_journal_volume                  153
_journal_year                    1980
_chemical_formula_sum            'Ba4 O16 Si6'
_chemical_name_systematic        'Ba4 (Si6 O16)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.477
_cell_length_b                   4.685
_cell_length_c                   13.944
_cell_volume                     813.538
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Hesse_ZEKRDZ_1980_278.cif
_cod_data_source_block           Ba4O16Si6
_cod_original_cell_volume        813.5377
_cod_database_code               8103554
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
O1 O-2 0.5271 0.7509 0.4156 1 0.0
O2 O-2 0.7339 0.7664 0.4779 1 0.0
Ba1 Ba+2 0.582 0.773 0.1116 1 0.0
Si1 Si+4 0.6493 0.8128 0.3895 1 0.0
Ba2 Ba+2 0.8552 0.2537 0.0323 1 0.0
O4 O-2 0.6814 0.6466 0.2888 1 0.0
O8 O-2 0.0029 0.649 0.2868 1 0.0
Si2 Si+4 0.7241 0.3204 0.277 1 0.0
O6 O-2 0.8446 0.302 0.326 1 0.0
Si3 Si+4 0.9731 0.3209 0.3126 1 0.0
O3 O-2 0.6465 0.1482 0.3501 1 0.0
O7 O-2 0.0338 0.2366 0.4101 1 0.0
O5 O-2 0.7151 0.2349 0.1675 1 0.0
