The compound described by BaMg6Cr crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cr(1) atoms to form a mixture of corner and face-sharing BaMg10Cr2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), one Mg(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cr(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and one Cr(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Cr(1) atoms. Cr(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_BaMg6Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   6.869
_cell_length_c   6.955
_cell_angle_alpha   119.595
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.223
_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
  Ba  Ba0  1  1.000  0.829  0.657  1.0
  Cr  Cr1  1  0.500  0.643  0.286  1.0
  Mg  Mg2  1  1.000  0.349  0.161  1.0
  Mg  Mg3  1  1.000  0.813  0.161  1.0
  Mg  Mg4  1  1.000  0.335  0.670  1.0
  Mg  Mg5  1  0.500  0.210  0.866  1.0
  Mg  Mg6  1  0.500  0.656  0.866  1.0
  Mg  Mg7  1  0.500  0.166  0.333  1.0
[/CIF]
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The compound described by BaMg6Cr crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cr(1) atoms to form a mixture of corner and face-sharing BaMg10Cr2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), one Mg(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cr(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and one Cr(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Cr(1) atoms. Cr(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_BaMg6Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   6.869
_cell_length_c   6.955
_cell_angle_alpha   119.595
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.223
_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
  Ba  Ba0  1  1.000  0.829  0.657  1.0
  Cr  Cr1  1  0.500  0.643  0.286  1.0
  Mg  Mg2  1  1.000  0.349  0.161  1.0
  Mg  Mg3  1  1.000  0.813  0.161  1.0
  Mg  Mg4  1  1.000  0.335  0.670  1.0
  Mg  Mg5  1  0.500  0.210  0.866  1.0
  Mg  Mg6  1  0.500  0.656  0.866  1.0
  Mg  Mg7  1  0.500  0.166  0.333  1.0
[/CIF]
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