The material described by KMg6C crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one K(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Mg(1) atoms. In the second Mg site, Mg(2) is bonded in an L-shaped geometry to two equivalent K(1), one Mg(3), two equivalent Mg(1), and two equivalent C(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in an L-shaped geometry to four equivalent Mg(1) and two equivalent C(1) atoms. C(1) is bonded to two equivalent Mg(4) and four equivalent Mg(2) atoms to form distorted face-sharing CMg6 pentagonal pyramids. is represented by the CIF file [CIF]
data_KMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.112
_cell_length_b   8.615
_cell_length_c   8.654
_cell_angle_alpha   119.853
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.194
_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
  C  C0  1  0.500  0.648  0.296  1.0
  K  K1  1  0.500  0.180  0.360  1.0
  Mg  Mg2  1  0.500  0.746  0.849  1.0
  Mg  Mg3  1  0.500  0.102  0.849  1.0
  Mg  Mg4  1  1.000  0.742  0.169  1.0
  Mg  Mg5  1  1.000  0.427  0.169  1.0
  Mg  Mg6  1  0.000  0.397  0.793  1.0
  Mg  Mg7  1  0.000  0.758  0.515  1.0
[/CIF]
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The material described by KMg6C crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one K(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Mg(1) atoms. In the second Mg site, Mg(2) is bonded in an L-shaped geometry to two equivalent K(1), one Mg(3), two equivalent Mg(1), and two equivalent C(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in an L-shaped geometry to four equivalent Mg(1) and two equivalent C(1) atoms. C(1) is bonded to two equivalent Mg(4) and four equivalent Mg(2) atoms to form distorted face-sharing CMg6 pentagonal pyramids. is represented by the CIF file [CIF]
data_KMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.112
_cell_length_b   8.615
_cell_length_c   8.654
_cell_angle_alpha   119.853
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.194
_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
  C  C0  1  0.500  0.648  0.296  1.0
  K  K1  1  0.500  0.180  0.360  1.0
  Mg  Mg2  1  0.500  0.746  0.849  1.0
  Mg  Mg3  1  0.500  0.102  0.849  1.0
  Mg  Mg4  1  1.000  0.742  0.169  1.0
  Mg  Mg5  1  1.000  0.427  0.169  1.0
  Mg  Mg6  1  0.000  0.397  0.793  1.0
  Mg  Mg7  1  0.000  0.758  0.515  1.0
[/CIF]
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