#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/16/1531621.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_1531621
loop_
_publ_author_name
'Kubota, S.'
'Takahashi, T.'
'Yamane, H.'
'Shimada, M.'
_publ_section_title
;
 A powder X-ray diffraction study of a new compound, Ba Sr Ga4 O8
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              105
_journal_page_last               109
_journal_volume                  345
_journal_year                    2002
_chemical_formula_sum            'Ba Ga4 O8 Sr'
_chemical_name_systematic        'Ba Sr Ga4 O8'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.196
_cell_length_b                   9.196
_cell_length_c                   8.646
_cell_volume                     633.204
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Kubota_JALCEU_2002_539.cif
_cod_data_source_block           Ba1Ga4O8Sr1
_cod_original_cell_volume        633.2042
_cod_original_formula_sum        'Ba1 Ga4 O8 Sr1'
_cod_database_code               1531621
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
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
Ba3 Ba+2 0.3333 0.6667 0.467 0.319 0.0
Ba2 Ba+2 0.6667 0.3333 0.46 0.681 0.0
O4 O-2 0.689 0.932 0.434 0.5 0.0
O3 O-2 0.549 0.096 0.701 1 0.0
O2 O-2 0.893 0.116 0.682 1 0.0
Sr3 Sr+2 0.3333 0.6667 0.467 0.681 0.0
O5 O-2 0.571 0.957 0.446 0.5 0.0
Sr1 Sr+2 0 0 0.436 0.5 0.0
Ga2 Ga+3 0.666 0.986 0.646 1 0.0
Sr2 Sr+2 0.6667 0.3333 0.46 0.319 0.0
Ga1 Ga+3 0.66 0.988 0.25 1 0.0
O1 O-2 0.795 0.218 0.268 1 0.0
Ba1 Ba+2 0 0 0.436 0.5 0.0
