The crystal structure described by KMg6Mn crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form KMg10Mn2 cuboctahedra that share corners with four equivalent Mg(4)K2Mg10 cuboctahedra, corners with six equivalent K(1)Mg10Mn2 cuboctahedra, edges with two equivalent Mg(4)K2Mg10 cuboctahedra, faces with two equivalent K(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(4)K2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Mg10Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Mn(1) atom. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form distorted MgMg10Mn2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(4)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)K2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Mn2 cuboctahedra, and faces with six equivalent K(1)Mg10Mn2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent K(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mn(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent K(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg10Mn2 cuboctahedra, corners with six equivalent Mg(4)K2Mg10 cuboctahedra, edges with two equivalent K(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(2)Mg10Mn2 cuboctahedra, faces with two equivalent K(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(4)K2Mg10 cuboctahedra, and faces with two equivalent Mg(2)Mg10Mn2 cuboctahedra. Mn(1) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMg6Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   6.577
_cell_length_c   6.642
_cell_angle_alpha   119.677
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.567
_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
  K  K0  1  0.500  0.666  0.332  1.0
  Mg  Mg1  1  1.000  0.844  0.140  1.0
  Mg  Mg2  1  0.000  0.296  0.140  1.0
  Mg  Mg3  1  0.000  0.336  0.671  1.0
  Mg  Mg4  1  0.500  0.685  0.818  1.0
  Mg  Mg5  1  0.500  0.134  0.818  1.0
  Mg  Mg6  1  0.500  0.169  0.338  1.0
  Mn  Mn7  1  0.000  0.871  0.742  1.0
[/CIF]
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The crystal structure described by KMg6Mn crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form KMg10Mn2 cuboctahedra that share corners with four equivalent Mg(4)K2Mg10 cuboctahedra, corners with six equivalent K(1)Mg10Mn2 cuboctahedra, edges with two equivalent Mg(4)K2Mg10 cuboctahedra, faces with two equivalent K(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(4)K2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Mg10Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Mn(1) atom. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form distorted MgMg10Mn2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(4)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)K2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Mn2 cuboctahedra, and faces with six equivalent K(1)Mg10Mn2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent K(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mn(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent K(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg10Mn2 cuboctahedra, corners with six equivalent Mg(4)K2Mg10 cuboctahedra, edges with two equivalent K(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(2)Mg10Mn2 cuboctahedra, faces with two equivalent K(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(4)K2Mg10 cuboctahedra, and faces with two equivalent Mg(2)Mg10Mn2 cuboctahedra. Mn(1) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMg6Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   6.577
_cell_length_c   6.642
_cell_angle_alpha   119.677
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.567
_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
  K  K0  1  0.500  0.666  0.332  1.0
  Mg  Mg1  1  1.000  0.844  0.140  1.0
  Mg  Mg2  1  0.000  0.296  0.140  1.0
  Mg  Mg3  1  0.000  0.336  0.671  1.0
  Mg  Mg4  1  0.500  0.685  0.818  1.0
  Mg  Mg5  1  0.500  0.134  0.818  1.0
  Mg  Mg6  1  0.500  0.169  0.338  1.0
  Mn  Mn7  1  0.000  0.871  0.742  1.0
[/CIF]
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