The material described by CsMg14Ni crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ni(1) atoms to form distorted CsMg10Ni2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Cs(1)Mg10Ni2 cuboctahedra, edges with eight equivalent Mg(5)CsMg10Ni cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(5)CsMg10Ni cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form distorted MgMg12 cuboctahedra that share corners with four equivalent Cs(1)Mg10Ni2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with eight equivalent Mg(5)CsMg10Ni cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(5)CsMg10Ni cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with eight equivalent Mg(5)CsMg10Ni cuboctahedra, faces with two equivalent Cs(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Mg(5)CsMg10Ni cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Mg(5), and one Ni(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded to one Cs(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Ni(1) atom to form distorted MgCsMg10Ni cuboctahedra that share corners with ten equivalent Mg(5)CsMg10Ni cuboctahedra, edges with two equivalent Cs(1)Mg10Ni2 cuboctahedra, edges with two equivalent Mg(5)CsMg10Ni cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra,  a faceface with one Cs(1)Mg10Ni2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(5)CsMg10Ni cuboctahedra. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(7), four equivalent Mg(5), and one Ni(1) atom. In the seventh Mg site, Mg(7) is bonded in a 10-coordinate geometry to one Cs(1), one Mg(2), two equivalent Mg(4), two equivalent Mg(6), and four equivalent Mg(5) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), two equivalent Mg(6), and four equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.583
_cell_length_b   6.304
_cell_length_c   10.713
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.606
_symmetry_Int_Tables_number   1
_cell_volume   390.317
_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
  Cs  Cs0  1  0.097  0.799  0.125  1.0
  Mg  Mg1  1  0.160  0.330  0.625  1.0
  Mg  Mg2  1  0.178  0.839  0.625  1.0
  Mg  Mg3  1  0.598  0.303  0.125  1.0
  Mg  Mg4  1  0.666  0.326  0.625  1.0
  Mg  Mg5  1  0.598  0.795  0.125  1.0
  Mg  Mg6  1  0.666  0.841  0.625  1.0
  Mg  Mg7  1  0.352  0.183  0.384  1.0
  Mg  Mg8  1  0.352  0.183  0.866  1.0
  Mg  Mg9  1  0.352  0.669  0.384  1.0
  Mg  Mg10  1  0.352  0.669  0.866  1.0
  Mg  Mg11  1  0.870  0.185  0.338  1.0
  Mg  Mg12  1  0.870  0.185  0.912  1.0
  Mg  Mg13  1  0.832  0.666  0.405  1.0
  Mg  Mg14  1  0.832  0.666  0.845  1.0
  Ni  Ni15  1  0.223  0.362  0.125  1.0
[/CIF]
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The material described by CsMg14Ni crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ni(1) atoms to form distorted CsMg10Ni2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Cs(1)Mg10Ni2 cuboctahedra, edges with eight equivalent Mg(5)CsMg10Ni cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(5)CsMg10Ni cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form distorted MgMg12 cuboctahedra that share corners with four equivalent Cs(1)Mg10Ni2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with eight equivalent Mg(5)CsMg10Ni cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(5)CsMg10Ni cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with eight equivalent Mg(5)CsMg10Ni cuboctahedra, faces with two equivalent Cs(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Mg(5)CsMg10Ni cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Mg(5), and one Ni(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded to one Cs(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Ni(1) atom to form distorted MgCsMg10Ni cuboctahedra that share corners with ten equivalent Mg(5)CsMg10Ni cuboctahedra, edges with two equivalent Cs(1)Mg10Ni2 cuboctahedra, edges with two equivalent Mg(5)CsMg10Ni cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra,  a faceface with one Cs(1)Mg10Ni2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(5)CsMg10Ni cuboctahedra. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(7), four equivalent Mg(5), and one Ni(1) atom. In the seventh Mg site, Mg(7) is bonded in a 10-coordinate geometry to one Cs(1), one Mg(2), two equivalent Mg(4), two equivalent Mg(6), and four equivalent Mg(5) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), two equivalent Mg(6), and four equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.583
_cell_length_b   6.304
_cell_length_c   10.713
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.606
_symmetry_Int_Tables_number   1
_cell_volume   390.317
_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
  Cs  Cs0  1  0.097  0.799  0.125  1.0
  Mg  Mg1  1  0.160  0.330  0.625  1.0
  Mg  Mg2  1  0.178  0.839  0.625  1.0
  Mg  Mg3  1  0.598  0.303  0.125  1.0
  Mg  Mg4  1  0.666  0.326  0.625  1.0
  Mg  Mg5  1  0.598  0.795  0.125  1.0
  Mg  Mg6  1  0.666  0.841  0.625  1.0
  Mg  Mg7  1  0.352  0.183  0.384  1.0
  Mg  Mg8  1  0.352  0.183  0.866  1.0
  Mg  Mg9  1  0.352  0.669  0.384  1.0
  Mg  Mg10  1  0.352  0.669  0.866  1.0
  Mg  Mg11  1  0.870  0.185  0.338  1.0
  Mg  Mg12  1  0.870  0.185  0.912  1.0
  Mg  Mg13  1  0.832  0.666  0.405  1.0
  Mg  Mg14  1  0.832  0.666  0.845  1.0
  Ni  Ni15  1  0.223  0.362  0.125  1.0
[/CIF]
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