data_9007684
_chemical_name 'Xanthiosite'
loop_
_publ_author_name
'Barbier J'
'Frampton C'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 47
_journal_year 1991
_journal_page_first 457
_journal_page_last 462
_publ_section_title
;
 Structures of orthorhombic and monoclinic Ni3(AsO4)2
 Locality: synthetic
 Note: AnisoU's taken from ICSD
;
_chemical_formula_sum 'Ni3 As2 O8'
_cell_length_a 5.764
_cell_length_b 9.559
_cell_length_c 10.194
_cell_angle_alpha 90
_cell_angle_beta 92.95
_cell_angle_gamma 90
_cell_volume 560.925
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ni1  -0.11623   0.13508  -0.46619   0.00550
Ni2  -0.35785   0.13685  -0.21622   0.00540
Ni3   0.35985   0.12278   0.05781   0.00530
As1   0.36612   0.15639   0.38124   0.00430
As2  -0.12618   0.05552   0.20430   0.00400
O1   0.38340   0.22530   0.22910   0.00600
O2   0.60280   0.24370   0.45260   0.00700
O3   0.15560   0.23340   0.46490   0.00500
O4  -0.36660   0.01830   0.61870   0.00800
O5   0.37450   0.48980   0.37710   0.00500
O6  -0.13280   0.23170   0.19330   0.00700
O7   0.11270  -0.00500   0.13300   0.00600
O8   0.11910   0.50750   0.13620   0.00700