The structure described by KMg6B crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 14-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and four equivalent Mg(4) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one K(1), two equivalent Mg(4), and two equivalent B(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent K(1), two equivalent Mg(2), and one B(1) atom. In the fourth Mg site, Mg(4) is bonded to four equivalent K(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms to form MgK4Mg8 cuboctahedra that share corners with six equivalent Mg(4)K4Mg8 cuboctahedra, corners with four equivalent B(1)Mg6 pentagonal pyramids, edges with two equivalent Mg(4)K4Mg8 cuboctahedra, edges with two equivalent B(1)Mg6 pentagonal pyramids, and faces with two equivalent Mg(4)K4Mg8 cuboctahedra. B(1) is bonded to two equivalent Mg(3) and four equivalent Mg(1) atoms to form distorted BMg6 pentagonal pyramids that share corners with four equivalent Mg(4)K4Mg8 cuboctahedra, edges with two equivalent Mg(4)K4Mg8 cuboctahedra, and edges with two equivalent B(1)Mg6 pentagonal pyramids. is represented by the CIF file [CIF]
data_KMg6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.107
_cell_length_b   6.489
_cell_length_c   10.342
_cell_angle_alpha   108.284
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.977
_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
  B  B0  1  0.500  0.550  0.099  1.0
  K  K1  1  0.000  0.783  0.567  1.0
  Mg  Mg2  1  1.000  0.358  0.198  1.0
  Mg  Mg3  1  0.000  0.840  0.198  1.0
  Mg  Mg4  1  0.000  0.345  0.690  1.0
  Mg  Mg5  1  0.500  0.208  0.915  1.0
  Mg  Mg6  1  0.500  0.708  0.915  1.0
  Mg  Mg7  1  0.500  0.208  0.417  1.0
[/CIF]
.
The structure described by KMg6B crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 14-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and four equivalent Mg(4) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one K(1), two equivalent Mg(4), and two equivalent B(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent K(1), two equivalent Mg(2), and one B(1) atom. In the fourth Mg site, Mg(4) is bonded to four equivalent K(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms to form MgK4Mg8 cuboctahedra that share corners with six equivalent Mg(4)K4Mg8 cuboctahedra, corners with four equivalent B(1)Mg6 pentagonal pyramids, edges with two equivalent Mg(4)K4Mg8 cuboctahedra, edges with two equivalent B(1)Mg6 pentagonal pyramids, and faces with two equivalent Mg(4)K4Mg8 cuboctahedra. B(1) is bonded to two equivalent Mg(3) and four equivalent Mg(1) atoms to form distorted BMg6 pentagonal pyramids that share corners with four equivalent Mg(4)K4Mg8 cuboctahedra, edges with two equivalent Mg(4)K4Mg8 cuboctahedra, and edges with two equivalent B(1)Mg6 pentagonal pyramids. is represented by the CIF file [CIF]
data_KMg6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.107
_cell_length_b   6.489
_cell_length_c   10.342
_cell_angle_alpha   108.284
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.977
_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
  B  B0  1  0.500  0.550  0.099  1.0
  K  K1  1  0.000  0.783  0.567  1.0
  Mg  Mg2  1  1.000  0.358  0.198  1.0
  Mg  Mg3  1  0.000  0.840  0.198  1.0
  Mg  Mg4  1  0.000  0.345  0.690  1.0
  Mg  Mg5  1  0.500  0.208  0.915  1.0
  Mg  Mg6  1  0.500  0.708  0.915  1.0
  Mg  Mg7  1  0.500  0.208  0.417  1.0
[/CIF]
.