The material structure described by RbMg6Zr crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form RbMg12 cuboctahedra that share corners with four equivalent Rb(1)Mg12 cuboctahedra, corners with eight equivalent Zr(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, faces with two equivalent Rb(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, and faces with four equivalent Zr(1)Mg12 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Rb(1), eight equivalent Mg(2), and two equivalent Zr(1) atoms to form distorted MgRb2Mg8Zr2 cuboctahedra that share corners with twelve equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, edges with four equivalent Rb(1)Mg12 cuboctahedra, edges with four equivalent Zr(1)Mg12 cuboctahedra, faces with two equivalent Rb(1)Mg12 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Rb(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent Zr(1) atoms. Zr(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form ZrMg12 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra, corners with eight equivalent Rb(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, faces with four equivalent Rb(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra. is represented by the CIF card [CIF]
data_RbMg6Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.882
_cell_length_b   6.882
_cell_length_c   4.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.267
_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  0.375  0.625  0.500  1.0
  Mg  Mg1  1  0.375  0.125  0.500  1.0
  Mg  Mg2  1  0.875  0.625  0.500  1.0
  Mg  Mg3  1  0.093  0.343  0.000  1.0
  Mg  Mg4  1  0.657  0.907  0.000  1.0
  Mg  Mg5  1  0.657  0.343  0.000  1.0
  Mg  Mg6  1  0.093  0.907  0.000  1.0
  Zr  Zr7  1  0.875  0.125  0.500  1.0
[/CIF]
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The material structure described by RbMg6Zr crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form RbMg12 cuboctahedra that share corners with four equivalent Rb(1)Mg12 cuboctahedra, corners with eight equivalent Zr(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, faces with two equivalent Rb(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, and faces with four equivalent Zr(1)Mg12 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Rb(1), eight equivalent Mg(2), and two equivalent Zr(1) atoms to form distorted MgRb2Mg8Zr2 cuboctahedra that share corners with twelve equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, edges with four equivalent Rb(1)Mg12 cuboctahedra, edges with four equivalent Zr(1)Mg12 cuboctahedra, faces with two equivalent Rb(1)Mg12 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Rb(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent Zr(1) atoms. Zr(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form ZrMg12 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra, corners with eight equivalent Rb(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, faces with four equivalent Rb(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Rb2Mg8Zr2 cuboctahedra. is represented by the CIF card [CIF]
data_RbMg6Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.882
_cell_length_b   6.882
_cell_length_c   4.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.267
_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  0.375  0.625  0.500  1.0
  Mg  Mg1  1  0.375  0.125  0.500  1.0
  Mg  Mg2  1  0.875  0.625  0.500  1.0
  Mg  Mg3  1  0.093  0.343  0.000  1.0
  Mg  Mg4  1  0.657  0.907  0.000  1.0
  Mg  Mg5  1  0.657  0.343  0.000  1.0
  Mg  Mg6  1  0.093  0.907  0.000  1.0
  Zr  Zr7  1  0.875  0.125  0.500  1.0
[/CIF]
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