The structure described by KMg6C crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an L-shaped geometry to one K(1), two equivalent Mg(4), and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to 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), one Mg(4), two equivalent Mg(2), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms to form MgK2Mg10 cuboctahedra that share corners with two equivalent Mg(4)K2Mg10 cuboctahedra, corners with four equivalent C(1)Mg6 pentagonal pyramids, faces with two equivalent Mg(4)K2Mg10 cuboctahedra, and faces with two equivalent C(1)Mg6 pentagonal pyramids. C(1) is bonded to two equivalent Mg(3) and four equivalent Mg(1) atoms to form distorted CMg6 pentagonal pyramids that share corners with four equivalent Mg(4)K2Mg10 cuboctahedra, edges with two equivalent C(1)Mg6 pentagonal pyramids, and faces with two equivalent Mg(4)K2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_KMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.259
_cell_length_b   8.249
_cell_length_c   8.260
_cell_angle_alpha   119.958
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.373
_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  0.594  0.189  1.0
  K  K1  1  0.000  0.843  0.686  1.0
  Mg  Mg2  1  1.000  0.455  0.261  1.0
  Mg  Mg3  1  0.000  0.805  0.261  1.0
  Mg  Mg4  1  0.000  0.289  0.579  1.0
  Mg  Mg5  1  0.500  0.292  0.924  1.0
  Mg  Mg6  1  0.500  0.632  0.924  1.0
  Mg  Mg7  1  0.500  0.089  0.178  1.0
[/CIF]
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The structure described by KMg6C crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an L-shaped geometry to one K(1), two equivalent Mg(4), and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to 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), one Mg(4), two equivalent Mg(2), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms to form MgK2Mg10 cuboctahedra that share corners with two equivalent Mg(4)K2Mg10 cuboctahedra, corners with four equivalent C(1)Mg6 pentagonal pyramids, faces with two equivalent Mg(4)K2Mg10 cuboctahedra, and faces with two equivalent C(1)Mg6 pentagonal pyramids. C(1) is bonded to two equivalent Mg(3) and four equivalent Mg(1) atoms to form distorted CMg6 pentagonal pyramids that share corners with four equivalent Mg(4)K2Mg10 cuboctahedra, edges with two equivalent C(1)Mg6 pentagonal pyramids, and faces with two equivalent Mg(4)K2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_KMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.259
_cell_length_b   8.249
_cell_length_c   8.260
_cell_angle_alpha   119.958
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.373
_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  0.594  0.189  1.0
  K  K1  1  0.000  0.843  0.686  1.0
  Mg  Mg2  1  1.000  0.455  0.261  1.0
  Mg  Mg3  1  0.000  0.805  0.261  1.0
  Mg  Mg4  1  0.000  0.289  0.579  1.0
  Mg  Mg5  1  0.500  0.292  0.924  1.0
  Mg  Mg6  1  0.500  0.632  0.924  1.0
  Mg  Mg7  1  0.500  0.089  0.178  1.0
[/CIF]
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