The material described by CsMg6Cr crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cr(1) atoms to form CsMg10Cr2 cuboctahedra that share corners with four equivalent Cr(1)Cs2Mg10 cuboctahedra, corners with six equivalent Cs(1)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, edges with two equivalent Cr(1)Cs2Mg10 cuboctahedra, edges with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, faces with two equivalent Cs(1)Mg10Cr2 cuboctahedra, faces with two equivalent Cr(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cr(1) atoms to form distorted MgCs2Mg8Cr2 cuboctahedra that share corners with four equivalent Cs(1)Mg10Cr2 cuboctahedra, corners with four equivalent Cr(1)Cs2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, edges with two equivalent Cs(1)Mg10Cr2 cuboctahedra, edges with two equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, edges with two equivalent Cr(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg10Cr2 cuboctahedra, faces with two equivalent Cr(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(4), and two equivalent Cr(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cr(1) atoms. Cr(1) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CrCs2Mg10 cuboctahedra that share corners with four equivalent Cs(1)Mg10Cr2 cuboctahedra, corners with six equivalent Cr(1)Cs2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, edges with two equivalent Cs(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, faces with two equivalent Cs(1)Mg10Cr2 cuboctahedra, faces with two equivalent Cr(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra. is represented by the CIF card [CIF]
data_CsMg6Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.362
_cell_length_b   6.791
_cell_length_c   6.835
_cell_angle_alpha   119.785
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.026
_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
  Cr  Cr0  1  0.500  0.665  0.330  1.0
  Cs  Cs1  1  0.500  0.166  0.332  1.0
  Mg  Mg2  1  0.500  0.664  0.835  1.0
  Mg  Mg3  1  0.500  0.171  0.835  1.0
  Mg  Mg4  1  0.000  0.801  0.158  1.0
  Mg  Mg5  1  1.000  0.357  0.158  1.0
  Mg  Mg6  1  0.000  0.348  0.697  1.0
  Mg  Mg7  1  0.000  0.828  0.657  1.0
[/CIF]
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The material described by CsMg6Cr crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cr(1) atoms to form CsMg10Cr2 cuboctahedra that share corners with four equivalent Cr(1)Cs2Mg10 cuboctahedra, corners with six equivalent Cs(1)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, edges with two equivalent Cr(1)Cs2Mg10 cuboctahedra, edges with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, faces with two equivalent Cs(1)Mg10Cr2 cuboctahedra, faces with two equivalent Cr(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cr(1) atoms to form distorted MgCs2Mg8Cr2 cuboctahedra that share corners with four equivalent Cs(1)Mg10Cr2 cuboctahedra, corners with four equivalent Cr(1)Cs2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, edges with two equivalent Cs(1)Mg10Cr2 cuboctahedra, edges with two equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, edges with two equivalent Cr(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg10Cr2 cuboctahedra, faces with two equivalent Cr(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(4), and two equivalent Cr(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cr(1) atoms. Cr(1) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CrCs2Mg10 cuboctahedra that share corners with four equivalent Cs(1)Mg10Cr2 cuboctahedra, corners with six equivalent Cr(1)Cs2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, edges with two equivalent Cs(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra, faces with two equivalent Cs(1)Mg10Cr2 cuboctahedra, faces with two equivalent Cr(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Cr2 cuboctahedra. is represented by the CIF card [CIF]
data_CsMg6Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.362
_cell_length_b   6.791
_cell_length_c   6.835
_cell_angle_alpha   119.785
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.026
_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
  Cr  Cr0  1  0.500  0.665  0.330  1.0
  Cs  Cs1  1  0.500  0.166  0.332  1.0
  Mg  Mg2  1  0.500  0.664  0.835  1.0
  Mg  Mg3  1  0.500  0.171  0.835  1.0
  Mg  Mg4  1  0.000  0.801  0.158  1.0
  Mg  Mg5  1  1.000  0.357  0.158  1.0
  Mg  Mg6  1  0.000  0.348  0.697  1.0
  Mg  Mg7  1  0.000  0.828  0.657  1.0
[/CIF]
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