The material described by KMg6Ni crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Ni(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to four equivalent K(1), two equivalent Mg(4), four equivalent Mg(3), and two equivalent Ni(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to one K(1), two equivalent Mg(2), and two equivalent Ni(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Mg(2) atoms. Ni(1) is bonded in a 6-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 CIF card [CIF]
data_KMg6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.100
_cell_length_b   8.100
_cell_length_c   4.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.577
_symmetry_Int_Tables_number   1
_cell_volume   208.657
_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  0.283  0.717  0.500  1.0
  Mg  Mg1  1  0.207  0.294  0.000  1.0
  Mg  Mg2  1  0.706  0.793  0.000  1.0
  Mg  Mg3  1  0.682  0.318  0.000  1.0
  Mg  Mg4  1  0.320  0.155  0.500  1.0
  Mg  Mg5  1  0.845  0.680  0.500  1.0
  Mg  Mg6  1  0.860  0.140  0.500  1.0
  Ni  Ni7  1  0.097  0.903  0.000  1.0
[/CIF]
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The material described by KMg6Ni crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Ni(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to four equivalent K(1), two equivalent Mg(4), four equivalent Mg(3), and two equivalent Ni(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to one K(1), two equivalent Mg(2), and two equivalent Ni(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Mg(2) atoms. Ni(1) is bonded in a 6-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 CIF card [CIF]
data_KMg6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.100
_cell_length_b   8.100
_cell_length_c   4.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.577
_symmetry_Int_Tables_number   1
_cell_volume   208.657
_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  0.283  0.717  0.500  1.0
  Mg  Mg1  1  0.207  0.294  0.000  1.0
  Mg  Mg2  1  0.706  0.793  0.000  1.0
  Mg  Mg3  1  0.682  0.318  0.000  1.0
  Mg  Mg4  1  0.320  0.155  0.500  1.0
  Mg  Mg5  1  0.845  0.680  0.500  1.0
  Mg  Mg6  1  0.860  0.140  0.500  1.0
  Ni  Ni7  1  0.097  0.903  0.000  1.0
[/CIF]
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