The material described by CeY(MgNi4)2 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 16-coordinate geometry to one Ce(1), three equivalent Y(1), three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to three equivalent Ce(1), one Y(1), three equivalent Ni(1), three equivalent Ni(4), and six equivalent Ni(2) atoms. Ce(1) is bonded in a 16-coordinate geometry to one Mg(1), three equivalent Mg(2), three equivalent Ni(2), three equivalent Ni(4), and six equivalent Ni(1) atoms. Y(1) is bonded in a 16-coordinate geometry to one Mg(2), three equivalent Mg(1), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Ce(1), one Y(1), one Ni(3), one Ni(4), and four equivalent Ni(1) atoms to form NiCe2YMg3Ni6 cuboctahedra that share corners with two equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, corners with two equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, corners with four equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, corners with ten equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, edges with two equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, edges with four equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, faces with three equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, faces with three equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, faces with four equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, and faces with eight equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to one Mg(1), two equivalent Mg(2), one Ce(1), two equivalent Y(1), one Ni(3), one Ni(4), and four equivalent Ni(2) atoms to form NiCeY2Mg3Ni6 cuboctahedra that share corners with two equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, corners with two equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, corners with four equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, corners with ten equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, edges with two equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, edges with four equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, faces with three equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, faces with three equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, faces with four equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, and faces with eight equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Mg(1), three equivalent Y(1), three equivalent Ni(1), and three equivalent Ni(2) atoms to form NiY3Mg3Ni6 cuboctahedra that share corners with six equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, corners with six equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, corners with six equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, edges with six equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, faces with nine equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, and faces with nine equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to three equivalent Mg(2), three equivalent Ce(1), three equivalent Ni(1), and three equivalent Ni(2) atoms to form NiCe3Mg3Ni6 cuboctahedra that share corners with six equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, corners with six equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, corners with six equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, edges with six equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, faces with nine equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, and faces with nine equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_CeY(MgNi4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.561
_cell_length_b   8.561
_cell_length_c   8.561
_cell_angle_alpha   33.572
_cell_angle_beta   33.572
_cell_angle_gamma   33.572
_symmetry_Int_Tables_number   1
_cell_volume   170.901
_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
  Ce  Ce0  1  1.000  1.000  1.000  1.0
  Y  Y1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.125  0.125  0.125  1.0
  Mg  Mg3  1  0.625  0.625  0.625  1.0
  Ni  Ni4  1  0.564  0.060  0.564  1.0
  Ni  Ni5  1  0.064  0.561  0.064  1.0
  Ni  Ni6  1  0.060  0.564  0.564  1.0
  Ni  Ni7  1  0.561  0.064  0.064  1.0
  Ni  Ni8  1  0.812  0.812  0.812  1.0
  Ni  Ni9  1  0.312  0.312  0.312  1.0
  Ni  Ni10  1  0.564  0.564  0.060  1.0
  Ni  Ni11  1  0.064  0.064  0.561  1.0
[/CIF]
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The material described by CeY(MgNi4)2 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 16-coordinate geometry to one Ce(1), three equivalent Y(1), three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to three equivalent Ce(1), one Y(1), three equivalent Ni(1), three equivalent Ni(4), and six equivalent Ni(2) atoms. Ce(1) is bonded in a 16-coordinate geometry to one Mg(1), three equivalent Mg(2), three equivalent Ni(2), three equivalent Ni(4), and six equivalent Ni(1) atoms. Y(1) is bonded in a 16-coordinate geometry to one Mg(2), three equivalent Mg(1), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Ce(1), one Y(1), one Ni(3), one Ni(4), and four equivalent Ni(1) atoms to form NiCe2YMg3Ni6 cuboctahedra that share corners with two equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, corners with two equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, corners with four equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, corners with ten equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, edges with two equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, edges with four equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, faces with three equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, faces with three equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, faces with four equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, and faces with eight equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to one Mg(1), two equivalent Mg(2), one Ce(1), two equivalent Y(1), one Ni(3), one Ni(4), and four equivalent Ni(2) atoms to form NiCeY2Mg3Ni6 cuboctahedra that share corners with two equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, corners with two equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, corners with four equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, corners with ten equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, edges with two equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, edges with four equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, faces with three equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, faces with three equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, faces with four equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, and faces with eight equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Mg(1), three equivalent Y(1), three equivalent Ni(1), and three equivalent Ni(2) atoms to form NiY3Mg3Ni6 cuboctahedra that share corners with six equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, corners with six equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, corners with six equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, edges with six equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, faces with nine equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, and faces with nine equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to three equivalent Mg(2), three equivalent Ce(1), three equivalent Ni(1), and three equivalent Ni(2) atoms to form NiCe3Mg3Ni6 cuboctahedra that share corners with six equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, corners with six equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra, corners with six equivalent Ni(3)Y3Mg3Ni6 cuboctahedra, edges with six equivalent Ni(4)Ce3Mg3Ni6 cuboctahedra, faces with nine equivalent Ni(1)Ce2YMg3Ni6 cuboctahedra, and faces with nine equivalent Ni(2)CeY2Mg3Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_CeY(MgNi4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.561
_cell_length_b   8.561
_cell_length_c   8.561
_cell_angle_alpha   33.572
_cell_angle_beta   33.572
_cell_angle_gamma   33.572
_symmetry_Int_Tables_number   1
_cell_volume   170.901
_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
  Ce  Ce0  1  1.000  1.000  1.000  1.0
  Y  Y1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.125  0.125  0.125  1.0
  Mg  Mg3  1  0.625  0.625  0.625  1.0
  Ni  Ni4  1  0.564  0.060  0.564  1.0
  Ni  Ni5  1  0.064  0.561  0.064  1.0
  Ni  Ni6  1  0.060  0.564  0.564  1.0
  Ni  Ni7  1  0.561  0.064  0.064  1.0
  Ni  Ni8  1  0.812  0.812  0.812  1.0
  Ni  Ni9  1  0.312  0.312  0.312  1.0
  Ni  Ni10  1  0.564  0.564  0.060  1.0
  Ni  Ni11  1  0.064  0.064  0.561  1.0
[/CIF]
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