data_9016707
_publ_section_title
;
 Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit
 einem Beitrag uber Bariumorthoarsenat Ba3(AsO4)2
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              722
_journal_page_last               726
_journal_volume                  51
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Ba3 O8'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.7672
_cell_length_b                   5.7672
_cell_length_c                   21.1630
_cell_volume                     609.590
_database_code_amcsd             0018727
_exptl_crystal_density_diffrn    5.637
_[local]_cod_cif_authors_sg_H-M  'R -3 m'
_[local]_cod_chemical_formula_sum_orig 'Ba3 As2 O8'
_cod_database_code               9016707
_amcsd_formula_title             Ba3(AsO4)2
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba1 0.00000 0.00000 0.00000 0.01300
Ba2 0.00000 0.00000 0.20584 0.00900
As 0.33333 0.66667 0.07357 0.00700
O1 0.17370 0.82630 0.10100 0.02200
O2 0.33333 0.66667 -0.00640 0.03000
