The structure described by Nd2Ni12P5 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to one Ni(11), one Ni(2), one Ni(5), one Ni(8), one Ni(9), two equivalent Ni(1), two equivalent Ni(10), two equivalent Ni(12), three equivalent Ni(7), two equivalent P(3), and two equivalent P(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one P(5), two equivalent P(1), two equivalent P(2), and two equivalent P(4) atoms. There are twelve inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Nd(1), one P(2), and one P(5) atom. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Nd(1), one P(3), and two equivalent P(4) atoms. In the third Ni site, Ni(3) is bonded in a distorted water-like geometry to two equivalent P(2) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted water-like geometry to two equivalent P(4) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Nd(1), one P(1), one P(4), and two equivalent P(3) atoms. In the sixth Ni site, Ni(6) is bonded in a 4-coordinate geometry to one P(2) and three equivalent P(1) atoms. In the seventh Ni site, Ni(7) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) and three equivalent P(3) atoms. In the eighth Ni site, Ni(8) is bonded in a 3-coordinate geometry to one Nd(1), one P(1), and two equivalent P(2) atoms. In the ninth Ni site, Ni(9) is bonded in a distorted trigonal planar geometry to one Nd(1), one P(4), and two equivalent P(5) atoms. In the tenth Ni site, Ni(10) is bonded in a 2-coordinate geometry to two equivalent Nd(1), one P(4), and one P(5) atom. In the eleventh Ni site, Ni(11) is bonded in a distorted trigonal planar geometry to one Nd(1), one P(2), and two equivalent P(5) atoms. In the twelfth Ni site, Ni(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1), one P(3), and two equivalent P(1) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(5), one Ni(8), two equivalent Ni(12), and three equivalent Ni(6) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(1), one Ni(11), one Ni(6), two equivalent Ni(3), and two equivalent Ni(8) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one Ni(12), one Ni(2), two equivalent Ni(5), and three equivalent Ni(7) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(10), one Ni(5), one Ni(9), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), one Ni(1), one Ni(10), two equivalent Ni(11), and two equivalent Ni(9) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Ni12P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.650
_cell_length_b   10.773
_cell_length_c   13.028
_cell_angle_alpha   72.094
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.509
_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
  Nd  Nd0  1  0.250  0.279  0.683  1.0
  Nd  Nd1  1  0.750  0.721  0.317  1.0
  Nd  Nd2  1  0.250  0.246  0.188  1.0
  Nd  Nd3  1  0.750  0.754  0.812  1.0
  Ni  Ni4  1  0.250  0.843  0.136  1.0
  Ni  Ni5  1  0.750  0.157  0.864  1.0
  Ni  Ni6  1  0.250  0.287  0.439  1.0
  Ni  Ni7  1  0.750  0.713  0.561  1.0
  Ni  Ni8  1  0.250  0.071  0.014  1.0
  Ni  Ni9  1  0.750  0.929  0.986  1.0
  Ni  Ni10  1  0.250  0.065  0.448  1.0
  Ni  Ni11  1  0.750  0.935  0.552  1.0
  Ni  Ni12  1  0.250  0.596  0.696  1.0
  Ni  Ni13  1  0.750  0.404  0.304  1.0
  Ni  Ni14  1  0.250  0.582  0.009  1.0
  Ni  Ni15  1  0.750  0.418  0.991  1.0
  Ni  Ni16  1  0.250  0.578  0.510  1.0
  Ni  Ni17  1  0.750  0.422  0.490  1.0
  Ni  Ni18  1  0.250  0.298  0.918  1.0
  Ni  Ni19  1  0.750  0.702  0.082  1.0
  Ni  Ni20  1  0.250  0.994  0.659  1.0
  Ni  Ni21  1  0.750  0.006  0.341  1.0
  Ni  Ni22  1  0.250  0.842  0.438  1.0
  Ni  Ni23  1  0.750  0.158  0.562  1.0
  Ni  Ni24  1  0.250  0.989  0.850  1.0
  Ni  Ni25  1  0.750  0.011  0.150  1.0
  Ni  Ni26  1  0.250  0.562  0.204  1.0
  Ni  Ni27  1  0.750  0.438  0.796  1.0
  P  P28  1  0.250  0.508  0.871  1.0
  P  P29  1  0.750  0.492  0.129  1.0
  P  P30  1  0.250  0.800  0.984  1.0
  P  P31  1  0.750  0.200  0.016  1.0
  P  P32  1  0.250  0.493  0.379  1.0
  P  P33  1  0.750  0.507  0.621  1.0
  P  P34  1  0.250  0.812  0.612  1.0
  P  P35  1  0.750  0.188  0.388  1.0
  P  P36  1  0.250  0.950  0.260  1.0
  P  P37  1  0.750  0.050  0.740  1.0
[/CIF]
.
The structure described by Nd2Ni12P5 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to one Ni(11), one Ni(2), one Ni(5), one Ni(8), one Ni(9), two equivalent Ni(1), two equivalent Ni(10), two equivalent Ni(12), three equivalent Ni(7), two equivalent P(3), and two equivalent P(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one P(5), two equivalent P(1), two equivalent P(2), and two equivalent P(4) atoms. There are twelve inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Nd(1), one P(2), and one P(5) atom. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Nd(1), one P(3), and two equivalent P(4) atoms. In the third Ni site, Ni(3) is bonded in a distorted water-like geometry to two equivalent P(2) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted water-like geometry to two equivalent P(4) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Nd(1), one P(1), one P(4), and two equivalent P(3) atoms. In the sixth Ni site, Ni(6) is bonded in a 4-coordinate geometry to one P(2) and three equivalent P(1) atoms. In the seventh Ni site, Ni(7) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) and three equivalent P(3) atoms. In the eighth Ni site, Ni(8) is bonded in a 3-coordinate geometry to one Nd(1), one P(1), and two equivalent P(2) atoms. In the ninth Ni site, Ni(9) is bonded in a distorted trigonal planar geometry to one Nd(1), one P(4), and two equivalent P(5) atoms. In the tenth Ni site, Ni(10) is bonded in a 2-coordinate geometry to two equivalent Nd(1), one P(4), and one P(5) atom. In the eleventh Ni site, Ni(11) is bonded in a distorted trigonal planar geometry to one Nd(1), one P(2), and two equivalent P(5) atoms. In the twelfth Ni site, Ni(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1), one P(3), and two equivalent P(1) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(5), one Ni(8), two equivalent Ni(12), and three equivalent Ni(6) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(1), one Ni(11), one Ni(6), two equivalent Ni(3), and two equivalent Ni(8) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one Ni(12), one Ni(2), two equivalent Ni(5), and three equivalent Ni(7) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(10), one Ni(5), one Ni(9), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), one Ni(1), one Ni(10), two equivalent Ni(11), and two equivalent Ni(9) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Ni12P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.650
_cell_length_b   10.773
_cell_length_c   13.028
_cell_angle_alpha   72.094
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.509
_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
  Nd  Nd0  1  0.250  0.279  0.683  1.0
  Nd  Nd1  1  0.750  0.721  0.317  1.0
  Nd  Nd2  1  0.250  0.246  0.188  1.0
  Nd  Nd3  1  0.750  0.754  0.812  1.0
  Ni  Ni4  1  0.250  0.843  0.136  1.0
  Ni  Ni5  1  0.750  0.157  0.864  1.0
  Ni  Ni6  1  0.250  0.287  0.439  1.0
  Ni  Ni7  1  0.750  0.713  0.561  1.0
  Ni  Ni8  1  0.250  0.071  0.014  1.0
  Ni  Ni9  1  0.750  0.929  0.986  1.0
  Ni  Ni10  1  0.250  0.065  0.448  1.0
  Ni  Ni11  1  0.750  0.935  0.552  1.0
  Ni  Ni12  1  0.250  0.596  0.696  1.0
  Ni  Ni13  1  0.750  0.404  0.304  1.0
  Ni  Ni14  1  0.250  0.582  0.009  1.0
  Ni  Ni15  1  0.750  0.418  0.991  1.0
  Ni  Ni16  1  0.250  0.578  0.510  1.0
  Ni  Ni17  1  0.750  0.422  0.490  1.0
  Ni  Ni18  1  0.250  0.298  0.918  1.0
  Ni  Ni19  1  0.750  0.702  0.082  1.0
  Ni  Ni20  1  0.250  0.994  0.659  1.0
  Ni  Ni21  1  0.750  0.006  0.341  1.0
  Ni  Ni22  1  0.250  0.842  0.438  1.0
  Ni  Ni23  1  0.750  0.158  0.562  1.0
  Ni  Ni24  1  0.250  0.989  0.850  1.0
  Ni  Ni25  1  0.750  0.011  0.150  1.0
  Ni  Ni26  1  0.250  0.562  0.204  1.0
  Ni  Ni27  1  0.750  0.438  0.796  1.0
  P  P28  1  0.250  0.508  0.871  1.0
  P  P29  1  0.750  0.492  0.129  1.0
  P  P30  1  0.250  0.800  0.984  1.0
  P  P31  1  0.750  0.200  0.016  1.0
  P  P32  1  0.250  0.493  0.379  1.0
  P  P33  1  0.750  0.507  0.621  1.0
  P  P34  1  0.250  0.812  0.612  1.0
  P  P35  1  0.750  0.188  0.388  1.0
  P  P36  1  0.250  0.950  0.260  1.0
  P  P37  1  0.750  0.050  0.740  1.0
[/CIF]
.