#------------------------------------------------------------------------------
#$Date: 2016-11-27 03:20:14 +0200 (Sun, 27 Nov 2016) $
#$Revision: 188704 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544675.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_1544675
loop_
_publ_author_name
'Haga, N.'
_publ_section_title
;
 The crystal structure of banalsite, BaNa2Al4Si4O16, and its relation to
 the feldspar structure
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              262
_journal_page_last               281
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'Al4 Ba Na2 O16 Si4'
_chemical_name_common            BaNa2Al4Si4O16
_chemical_name_mineral           banalsite
_space_group_IT_number           72
_space_group_name_H-M_alt        'I b a m'
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.496(2)
_cell_length_b                   9.983(2)
_cell_length_c                   16.755(3)
_cell_volume                     1421.1(5)
_cod_data_source_file            banalsite.cif
_cod_data_source_block           banalsite
_cod_original_formula_sum        'Ba Na2 Al4 Si4 O16'
_cod_database_code               1544675
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-x, y, -z+1/2'
'x, -y, z+1/2'
'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_B_iso_or_equiv
_atom_site_type_symbol
Ba 1.0 0.000000 0.000000 0.250000 Biso 0.804383 Ba
Na 1.0 0.0422(4) 0.1745(4) 0.500000 Biso 1.329602 Na
T1 0.5000 0.2283(2) 0.4429(2) 0.40670(10) Biso 0.628806 Al
T1 0.5000 0.2283(2) 0.4429(2) 0.40670(10) Biso 0.628806 Si
T2 0.5000 0.0754(2) 0.3095(2) 0.15860(10) Biso 0.588884 Al
T2 0.5000 0.0754(2) 0.3095(2) 0.15860(10) Biso 0.588884 Si
O1 1.0 0.2143(7) 0.0153(7) 0.000000 Biso 1.001270 O
O2 1.0 0.000000 0.2929(7) 0.250000 Biso 1.184342 O
O3 1.0 0.1254(5) 0.1533(4) 0.1289(4) Biso 0.924213 O
O4 1.0 0.0618(5) 0.3533(4) 0.4082(4) Biso 1.039464 O
O5 1.0 0.2238(5) 0.4212(4) 0.1534(4) Biso 0.980712 O
