The compound described by Ba(Ni5P3)2 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 18-coordinate geometry to four equivalent Ni(4), six equivalent Ni(3), two equivalent P(2), two equivalent P(3), and four equivalent P(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(3) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to two equivalent P(2) and two equivalent P(3) atoms. In the third Ni site, Ni(3) is bonded to three equivalent Ba(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted NiBa3P4 tetrahedra that share corners with six equivalent Ni(4)BaP4 tetrahedra, corners with nine equivalent Ni(3)Ba3P4 tetrahedra, edges with four equivalent Ni(4)BaP4 tetrahedra, faces with two equivalent Ni(4)BaP4 tetrahedra, and faces with three equivalent Ni(3)Ba3P4 tetrahedra. In the fourth Ni site, Ni(4) is bonded to one Ba(1), one P(1), one P(2), and two equivalent P(3) atoms to form distorted NiBaP4 tetrahedra that share corners with three equivalent Ni(3)Ba3P4 tetrahedra, corners with five equivalent Ni(4)BaP4 tetrahedra, edges with two equivalent Ni(3)Ba3P4 tetrahedra, edges with three equivalent Ni(4)BaP4 tetrahedra, and  a faceface with one Ni(3)Ba3P4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to one Ba(1), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(Ni5P3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.724
_cell_length_b   8.724
_cell_length_c   8.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.748
_symmetry_Int_Tables_number   1
_cell_volume   457.572
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.209  0.791  0.294  1.0
  Ni  Ni3  1  0.291  0.709  0.794  1.0
  Ni  Ni4  1  0.912  0.588  0.750  1.0
  Ni  Ni5  1  0.709  0.291  0.206  1.0
  Ni  Ni6  1  0.088  0.412  0.250  1.0
  Ni  Ni7  1  0.412  0.088  0.750  1.0
  Ni  Ni8  1  0.955  0.045  0.881  1.0
  Ni  Ni9  1  0.045  0.955  0.119  1.0
  Ni  Ni10  1  0.545  0.455  0.381  1.0
  Ni  Ni11  1  0.455  0.545  0.619  1.0
  Ni  Ni12  1  0.476  0.126  0.471  1.0
  Ni  Ni13  1  0.126  0.476  0.529  1.0
  Ni  Ni14  1  0.024  0.374  0.971  1.0
  Ni  Ni15  1  0.374  0.024  0.029  1.0
  Ni  Ni16  1  0.524  0.874  0.529  1.0
  Ni  Ni17  1  0.874  0.524  0.471  1.0
  Ni  Ni18  1  0.976  0.626  0.029  1.0
  Ni  Ni19  1  0.626  0.976  0.971  1.0
  Ni  Ni20  1  0.588  0.912  0.250  1.0
  Ni  Ni21  1  0.791  0.209  0.706  1.0
  P  P22  1  0.140  0.360  0.750  1.0
  P  P23  1  0.360  0.140  0.250  1.0
  P  P24  1  0.410  0.590  0.373  1.0
  P  P25  1  0.590  0.410  0.627  1.0
  P  P26  1  0.090  0.910  0.873  1.0
  P  P27  1  0.910  0.090  0.127  1.0
  P  P28  1  0.291  0.709  0.075  1.0
  P  P29  1  0.709  0.291  0.925  1.0
  P  P30  1  0.209  0.791  0.575  1.0
  P  P31  1  0.791  0.209  0.425  1.0
  P  P32  1  0.860  0.640  0.250  1.0
  P  P33  1  0.640  0.860  0.750  1.0
[/CIF]
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The compound described by Ba(Ni5P3)2 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 18-coordinate geometry to four equivalent Ni(4), six equivalent Ni(3), two equivalent P(2), two equivalent P(3), and four equivalent P(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(3) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to two equivalent P(2) and two equivalent P(3) atoms. In the third Ni site, Ni(3) is bonded to three equivalent Ba(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted NiBa3P4 tetrahedra that share corners with six equivalent Ni(4)BaP4 tetrahedra, corners with nine equivalent Ni(3)Ba3P4 tetrahedra, edges with four equivalent Ni(4)BaP4 tetrahedra, faces with two equivalent Ni(4)BaP4 tetrahedra, and faces with three equivalent Ni(3)Ba3P4 tetrahedra. In the fourth Ni site, Ni(4) is bonded to one Ba(1), one P(1), one P(2), and two equivalent P(3) atoms to form distorted NiBaP4 tetrahedra that share corners with three equivalent Ni(3)Ba3P4 tetrahedra, corners with five equivalent Ni(4)BaP4 tetrahedra, edges with two equivalent Ni(3)Ba3P4 tetrahedra, edges with three equivalent Ni(4)BaP4 tetrahedra, and  a faceface with one Ni(3)Ba3P4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to one Ba(1), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(Ni5P3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.724
_cell_length_b   8.724
_cell_length_c   8.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.748
_symmetry_Int_Tables_number   1
_cell_volume   457.572
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.209  0.791  0.294  1.0
  Ni  Ni3  1  0.291  0.709  0.794  1.0
  Ni  Ni4  1  0.912  0.588  0.750  1.0
  Ni  Ni5  1  0.709  0.291  0.206  1.0
  Ni  Ni6  1  0.088  0.412  0.250  1.0
  Ni  Ni7  1  0.412  0.088  0.750  1.0
  Ni  Ni8  1  0.955  0.045  0.881  1.0
  Ni  Ni9  1  0.045  0.955  0.119  1.0
  Ni  Ni10  1  0.545  0.455  0.381  1.0
  Ni  Ni11  1  0.455  0.545  0.619  1.0
  Ni  Ni12  1  0.476  0.126  0.471  1.0
  Ni  Ni13  1  0.126  0.476  0.529  1.0
  Ni  Ni14  1  0.024  0.374  0.971  1.0
  Ni  Ni15  1  0.374  0.024  0.029  1.0
  Ni  Ni16  1  0.524  0.874  0.529  1.0
  Ni  Ni17  1  0.874  0.524  0.471  1.0
  Ni  Ni18  1  0.976  0.626  0.029  1.0
  Ni  Ni19  1  0.626  0.976  0.971  1.0
  Ni  Ni20  1  0.588  0.912  0.250  1.0
  Ni  Ni21  1  0.791  0.209  0.706  1.0
  P  P22  1  0.140  0.360  0.750  1.0
  P  P23  1  0.360  0.140  0.250  1.0
  P  P24  1  0.410  0.590  0.373  1.0
  P  P25  1  0.590  0.410  0.627  1.0
  P  P26  1  0.090  0.910  0.873  1.0
  P  P27  1  0.910  0.090  0.127  1.0
  P  P28  1  0.291  0.709  0.075  1.0
  P  P29  1  0.709  0.291  0.925  1.0
  P  P30  1  0.209  0.791  0.575  1.0
  P  P31  1  0.791  0.209  0.425  1.0
  P  P32  1  0.860  0.640  0.250  1.0
  P  P33  1  0.640  0.860  0.750  1.0
[/CIF]
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