The material structure described by KBaMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Ba(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form KBa2Mg10 cuboctahedra that share corners with six equivalent K(1)Ba2Mg10 cuboctahedra, edges with four equivalent Ba(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, and faces with two equivalent Ba(1)K2Mg10 cuboctahedra. Ba(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form BaK2Mg10 cuboctahedra that share corners with six equivalent Ba(1)K2Mg10 cuboctahedra, edges with four equivalent K(1)Ba2Mg10 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, and faces with two equivalent Ba(1)K2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent Ba(1), one Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent Ba(1), one Mg(3), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_KBaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   7.226
_cell_length_c   7.264
_cell_angle_alpha   119.825
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.267
_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
  Ba  Ba0  1  0.500  0.663  0.326  1.0
  K  K1  1  1.000  0.842  0.683  1.0
  Mg  Mg2  1  0.000  0.310  0.159  1.0
  Mg  Mg3  1  1.000  0.849  0.159  1.0
  Mg  Mg4  1  1.000  0.332  0.664  1.0
  Mg  Mg5  1  0.500  0.186  0.840  1.0
  Mg  Mg6  1  0.500  0.654  0.840  1.0
  Mg  Mg7  1  0.500  0.164  0.328  1.0
[/CIF]
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The material structure described by KBaMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Ba(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form KBa2Mg10 cuboctahedra that share corners with six equivalent K(1)Ba2Mg10 cuboctahedra, edges with four equivalent Ba(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, and faces with two equivalent Ba(1)K2Mg10 cuboctahedra. Ba(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form BaK2Mg10 cuboctahedra that share corners with six equivalent Ba(1)K2Mg10 cuboctahedra, edges with four equivalent K(1)Ba2Mg10 cuboctahedra, faces with two equivalent K(1)Ba2Mg10 cuboctahedra, and faces with two equivalent Ba(1)K2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent Ba(1), one Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent Ba(1), one Mg(3), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_KBaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   7.226
_cell_length_c   7.264
_cell_angle_alpha   119.825
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.267
_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
  Ba  Ba0  1  0.500  0.663  0.326  1.0
  K  K1  1  1.000  0.842  0.683  1.0
  Mg  Mg2  1  0.000  0.310  0.159  1.0
  Mg  Mg3  1  1.000  0.849  0.159  1.0
  Mg  Mg4  1  1.000  0.332  0.664  1.0
  Mg  Mg5  1  0.500  0.186  0.840  1.0
  Mg  Mg6  1  0.500  0.654  0.840  1.0
  Mg  Mg7  1  0.500  0.164  0.328  1.0
[/CIF]
.