The crystal structure described by Nd2(CoNi)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Ni(1), and eight equivalent Ni(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Co(3), and eight equivalent Ni(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), two equivalent Co(3), and four equivalent Ni(2) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. In the third Co site, Co(3) is bonded to four equivalent Nd(2), four equivalent Co(1), and four equivalent Ni(2) atoms to form CoNd4Co4Ni4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Ni4 cuboctahedra, corners with four equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Nd(1), four equivalent Co(2), and four equivalent Ni(2) atoms to form NiNd4Co4Ni4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Ni4 cuboctahedra, corners with four equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, edges with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, faces with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Co(3), two equivalent Co(1), two equivalent Co(2), one Ni(1), and two equivalent Ni(2) atoms to form NiNd4Co5Ni3 cuboctahedra that share corners with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, corners with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, corners with twelve equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, edges with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, edges with six equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, faces with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, and faces with six equivalent Ni(2)Nd4Co5Ni3 cuboctahedra. is represented by the CIF file [CIF]
data_Nd2(CoNi)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.969
_cell_length_b   4.962
_cell_length_c   8.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.058
_cell_formula_units_Z   1
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  0.000  0.500  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.335  1.0
  Co  Co3  1  0.000  0.000  0.833  1.0
  Co  Co4  1  0.000  0.000  0.167  1.0
  Co  Co5  1  0.000  0.500  0.665  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.000  0.000  1.0
  Ni  Ni8  1  0.500  0.750  0.250  1.0
  Ni  Ni9  1  0.500  0.250  0.750  1.0
  Ni  Ni10  1  0.500  0.250  0.250  1.0
  Ni  Ni11  1  0.500  0.750  0.750  1.0
[/CIF]
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The crystal structure described by Nd2(CoNi)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Ni(1), and eight equivalent Ni(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Co(3), and eight equivalent Ni(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), two equivalent Co(3), and four equivalent Ni(2) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. In the third Co site, Co(3) is bonded to four equivalent Nd(2), four equivalent Co(1), and four equivalent Ni(2) atoms to form CoNd4Co4Ni4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Ni4 cuboctahedra, corners with four equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Nd(1), four equivalent Co(2), and four equivalent Ni(2) atoms to form NiNd4Co4Ni4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Ni4 cuboctahedra, corners with four equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, edges with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, faces with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Nd4Co5Ni3 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Co(3), two equivalent Co(1), two equivalent Co(2), one Ni(1), and two equivalent Ni(2) atoms to form NiNd4Co5Ni3 cuboctahedra that share corners with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, corners with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, corners with twelve equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, edges with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, edges with six equivalent Ni(2)Nd4Co5Ni3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Ni4 cuboctahedra, faces with two equivalent Ni(1)Nd4Co4Ni4 cuboctahedra, and faces with six equivalent Ni(2)Nd4Co5Ni3 cuboctahedra. is represented by the CIF file [CIF]
data_Nd2(CoNi)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.969
_cell_length_b   4.962
_cell_length_c   8.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.058
_cell_formula_units_Z   1
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  0.000  0.500  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.335  1.0
  Co  Co3  1  0.000  0.000  0.833  1.0
  Co  Co4  1  0.000  0.000  0.167  1.0
  Co  Co5  1  0.000  0.500  0.665  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.000  0.000  1.0
  Ni  Ni8  1  0.500  0.750  0.250  1.0
  Ni  Ni9  1  0.500  0.250  0.750  1.0
  Ni  Ni10  1  0.500  0.250  0.250  1.0
  Ni  Ni11  1  0.500  0.750  0.750  1.0
[/CIF]
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