The material described by CsMg14Mo crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form CsMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Cs(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(1)Mg12 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 MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cs(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(4)Mg12 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 four equivalent Cs(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Mo(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Cs(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Cs(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(6), and one Mo(1) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Cs(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and four equivalent Mg(5) atoms. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and one Mo(1) atom. Mo(1) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms. is represented by the CIF card [CIF]
data_CsMg14Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.487
_cell_length_b   6.560
_cell_length_c   10.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.372
_symmetry_Int_Tables_number   1
_cell_volume   385.969
_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  0.136  0.318  0.125  1.0
  Mg  Mg1  1  0.174  0.337  0.625  1.0
  Mg  Mg2  1  0.168  0.834  0.625  1.0
  Mg  Mg3  1  0.651  0.326  0.125  1.0
  Mg  Mg4  1  0.667  0.342  0.625  1.0
  Mg  Mg5  1  0.651  0.825  0.125  1.0
  Mg  Mg6  1  0.667  0.825  0.625  1.0
  Mg  Mg7  1  0.336  0.152  0.381  1.0
  Mg  Mg8  1  0.336  0.152  0.869  1.0
  Mg  Mg9  1  0.336  0.684  0.381  1.0
  Mg  Mg10  1  0.336  0.684  0.869  1.0
  Mg  Mg11  1  0.819  0.160  0.401  1.0
  Mg  Mg12  1  0.819  0.160  0.849  1.0
  Mg  Mg13  1  0.848  0.674  0.359  1.0
  Mg  Mg14  1  0.848  0.674  0.891  1.0
  Mo  Mo15  1  0.206  0.853  0.125  1.0
[/CIF]
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The material described by CsMg14Mo crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form CsMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Cs(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(1)Mg12 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 MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cs(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(4)Mg12 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 four equivalent Cs(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Mo(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Cs(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Cs(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(6), and one Mo(1) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Cs(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and four equivalent Mg(5) atoms. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and one Mo(1) atom. Mo(1) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms. is represented by the CIF card [CIF]
data_CsMg14Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.487
_cell_length_b   6.560
_cell_length_c   10.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.372
_symmetry_Int_Tables_number   1
_cell_volume   385.969
_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  0.136  0.318  0.125  1.0
  Mg  Mg1  1  0.174  0.337  0.625  1.0
  Mg  Mg2  1  0.168  0.834  0.625  1.0
  Mg  Mg3  1  0.651  0.326  0.125  1.0
  Mg  Mg4  1  0.667  0.342  0.625  1.0
  Mg  Mg5  1  0.651  0.825  0.125  1.0
  Mg  Mg6  1  0.667  0.825  0.625  1.0
  Mg  Mg7  1  0.336  0.152  0.381  1.0
  Mg  Mg8  1  0.336  0.152  0.869  1.0
  Mg  Mg9  1  0.336  0.684  0.381  1.0
  Mg  Mg10  1  0.336  0.684  0.869  1.0
  Mg  Mg11  1  0.819  0.160  0.401  1.0
  Mg  Mg12  1  0.819  0.160  0.849  1.0
  Mg  Mg13  1  0.848  0.674  0.359  1.0
  Mg  Mg14  1  0.848  0.674  0.891  1.0
  Mo  Mo15  1  0.206  0.853  0.125  1.0
[/CIF]
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