The compound described by CsKMg6 crystallizes in the monoclinic Pm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent K(1), one Mg(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mg(6) atoms. K(1) is bonded to two equivalent Cs(1), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mg(5) atoms to form a mixture of distorted corner and face-sharing KCs2Mg6 hexagonal bipyramids. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to one Cs(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to one Cs(1), two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(5), one Mg(6), two equivalent Mg(1), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(5), one Mg(6), two equivalent Mg(2), and two equivalent Mg(3) atoms. In the fifth Mg site, Mg(5) is bonded in a 10-coordinate geometry to two equivalent K(1), one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(6) atoms. In the sixth Mg site, Mg(6) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsKMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   6.837
_cell_length_c   8.795
_cell_angle_alpha   68.457
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.498
_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
  Cs  Cs0  1  0.000  0.813  0.874  1.0
  K  K1  1  0.000  0.323  0.854  1.0
  Mg  Mg2  1  0.000  0.327  0.342  1.0
  Mg  Mg3  1  0.000  0.831  0.343  1.0
  Mg  Mg4  1  0.500  0.220  0.558  1.0
  Mg  Mg5  1  0.500  0.723  0.556  1.0
  Mg  Mg6  1  0.500  0.135  0.228  1.0
  Mg  Mg7  1  0.500  0.627  0.245  1.0
[/CIF]
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The compound described by CsKMg6 crystallizes in the monoclinic Pm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent K(1), one Mg(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mg(6) atoms. K(1) is bonded to two equivalent Cs(1), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mg(5) atoms to form a mixture of distorted corner and face-sharing KCs2Mg6 hexagonal bipyramids. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to one Cs(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to one Cs(1), two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(5), one Mg(6), two equivalent Mg(1), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(5), one Mg(6), two equivalent Mg(2), and two equivalent Mg(3) atoms. In the fifth Mg site, Mg(5) is bonded in a 10-coordinate geometry to two equivalent K(1), one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(6) atoms. In the sixth Mg site, Mg(6) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsKMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   6.837
_cell_length_c   8.795
_cell_angle_alpha   68.457
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.498
_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
  Cs  Cs0  1  0.000  0.813  0.874  1.0
  K  K1  1  0.000  0.323  0.854  1.0
  Mg  Mg2  1  0.000  0.327  0.342  1.0
  Mg  Mg3  1  0.000  0.831  0.343  1.0
  Mg  Mg4  1  0.500  0.220  0.558  1.0
  Mg  Mg5  1  0.500  0.723  0.556  1.0
  Mg  Mg6  1  0.500  0.135  0.228  1.0
  Mg  Mg7  1  0.500  0.627  0.245  1.0
[/CIF]
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