#------------------------------------------------------------------------------
#$Date: 2015-10-09 14:04:27 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161902 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/48/1534858.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_1534858
loop_
_publ_author_name
'Shpanchenko, R.V.'
'Antipov, E.V.'
'Paromova, M.V.'
'Kovba, L.M.'
_publ_section_title
;
 Crystal structure of Ba7 Sc6 Al2 O19
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Al2 Ba7 O19 Sc6'
_chemical_name_systematic        'Ba7 Sc6 Al2 O19'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.8056
_cell_length_b                   5.8056
_cell_length_c                   35.248
_cell_volume                     1028.867
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Shpanchenko_ZNOKAQ_1991_1152.cif
_cod_data_source_block           Al2Ba7O19Sc6
_cod_database_code               1534858
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-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
Ba2 Ba+2 0.6667 0.3333 0.3921 1 0.0
Ba4 Ba+2 0 0 0.25 1 0.0
Ba3 Ba+2 0 0 0.4472 1 0.0
O4 O-2 0.6667 0.3333 0.25 1 0.0
Sc2 Sc+3 0.6667 0.3333 0.5748 1 0.0
O3 O-2 0.154 0.308 0.386 1 0.0
O2 O-2 0.491 0.982 0.4595 1 0.0
Sc1 Sc+3 0 0 0.6476 1 0.0
Ba1 Ba+2 0.6667 0.3333 0.6739 1 0.0
O1 O-2 0.182 0.364 0.6856 1 0.0
Al1 Al+3 0.6667 0.3333 0.2983 1 0.0
Sc3 Sc+3 0.6667 0.3333 0.4909 1 0.0
