The material structure described by RbMg6Sb crystallizes in the orthorhombic Amm2 space group. Rb(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form a mixture of corner and face-sharing RbMg10Sb2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Mg(2), two equivalent Mg(4), and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Rb(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 1-coordinate geometry to two equivalent Rb(1), two equivalent Mg(2), and one Sb(1) atom. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Sb(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_RbMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.095
_cell_length_b   7.095
_cell_length_c   5.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.654
_symmetry_Int_Tables_number   1
_cell_volume   224.672
_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
  Rb  Rb0  1  0.172  0.828  0.000  1.0
  Mg  Mg1  1  0.179  0.336  0.000  1.0
  Mg  Mg2  1  0.664  0.821  0.000  1.0
  Mg  Mg3  1  0.656  0.344  0.000  1.0
  Mg  Mg4  1  0.350  0.211  0.500  1.0
  Mg  Mg5  1  0.789  0.650  0.500  1.0
  Mg  Mg6  1  0.831  0.169  0.500  1.0
  Sb  Sb7  1  0.359  0.641  0.500  1.0
[/CIF]
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The material structure described by RbMg6Sb crystallizes in the orthorhombic Amm2 space group. Rb(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form a mixture of corner and face-sharing RbMg10Sb2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Mg(2), two equivalent Mg(4), and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Rb(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 1-coordinate geometry to two equivalent Rb(1), two equivalent Mg(2), and one Sb(1) atom. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Sb(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_RbMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.095
_cell_length_b   7.095
_cell_length_c   5.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.654
_symmetry_Int_Tables_number   1
_cell_volume   224.672
_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
  Rb  Rb0  1  0.172  0.828  0.000  1.0
  Mg  Mg1  1  0.179  0.336  0.000  1.0
  Mg  Mg2  1  0.664  0.821  0.000  1.0
  Mg  Mg3  1  0.656  0.344  0.000  1.0
  Mg  Mg4  1  0.350  0.211  0.500  1.0
  Mg  Mg5  1  0.789  0.650  0.500  1.0
  Mg  Mg6  1  0.831  0.169  0.500  1.0
  Sb  Sb7  1  0.359  0.641  0.500  1.0
[/CIF]
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