The material described by NiBiAsO5 crystallizes in the triclinic P-1 space group. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and  an edgeedge with one Ni(1)O6 octahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1) and two equivalent Bi(1) atoms to form edge-sharing ONi2Bi2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Bi(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(1) atom. is represented by the CIF card [CIF]
data_NiBiAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   6.719
_cell_length_c   6.830
_cell_angle_alpha   111.405
_cell_angle_beta   107.125
_cell_angle_gamma   95.707
_symmetry_Int_Tables_number   1
_cell_volume   207.709
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  As  As0  1  0.842  0.812  0.611  1.0
  As  As1  1  0.158  0.188  0.389  1.0
  Bi  Bi2  1  0.406  0.233  0.966  1.0
  Bi  Bi3  1  0.594  0.767  0.034  1.0
  Ni  Ni4  1  0.832  0.364  0.739  1.0
  Ni  Ni5  1  0.168  0.636  0.261  1.0
  O  O6  1  0.771  0.498  0.048  1.0
  O  O7  1  0.229  0.502  0.952  1.0
  O  O8  1  0.268  0.351  0.275  1.0
  O  O9  1  0.732  0.649  0.725  1.0
  O  O10  1  0.580  0.775  0.374  1.0
  O  O11  1  0.420  0.225  0.626  1.0
  O  O12  1  0.085  0.917  0.201  1.0
  O  O13  1  0.915  0.083  0.799  1.0
  O  O14  1  0.864  0.237  0.430  1.0
  O  O15  1  0.136  0.763  0.570  1.0
[/CIF]
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The material described by NiBiAsO5 crystallizes in the triclinic P-1 space group. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and  an edgeedge with one Ni(1)O6 octahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1) and two equivalent Bi(1) atoms to form edge-sharing ONi2Bi2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Bi(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(1) atom. is represented by the CIF card [CIF]
data_NiBiAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   6.719
_cell_length_c   6.830
_cell_angle_alpha   111.405
_cell_angle_beta   107.125
_cell_angle_gamma   95.707
_symmetry_Int_Tables_number   1
_cell_volume   207.709
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  As  As0  1  0.842  0.812  0.611  1.0
  As  As1  1  0.158  0.188  0.389  1.0
  Bi  Bi2  1  0.406  0.233  0.966  1.0
  Bi  Bi3  1  0.594  0.767  0.034  1.0
  Ni  Ni4  1  0.832  0.364  0.739  1.0
  Ni  Ni5  1  0.168  0.636  0.261  1.0
  O  O6  1  0.771  0.498  0.048  1.0
  O  O7  1  0.229  0.502  0.952  1.0
  O  O8  1  0.268  0.351  0.275  1.0
  O  O9  1  0.732  0.649  0.725  1.0
  O  O10  1  0.580  0.775  0.374  1.0
  O  O11  1  0.420  0.225  0.626  1.0
  O  O12  1  0.085  0.917  0.201  1.0
  O  O13  1  0.915  0.083  0.799  1.0
  O  O14  1  0.864  0.237  0.430  1.0
  O  O15  1  0.136  0.763  0.570  1.0
[/CIF]
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