The material described by BaMg6Ni crystallizes in the orthorhombic Amm2 space group. Ba(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 Ba(1), two equivalent Mg(4), and one Ni(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to four equivalent Ba(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 Ba(1), one Mg(4), two equivalent Mg(2), and two equivalent Ni(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. is represented by the CIF card [CIF]
data_BaMg6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.043
_cell_length_b   8.043
_cell_length_c   4.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.177
_symmetry_Int_Tables_number   1
_cell_volume   209.090
_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
  Ba  Ba0  1  0.279  0.721  0.500  1.0
  Mg  Mg1  1  0.206  0.300  0.000  1.0
  Mg  Mg2  1  0.700  0.794  0.000  1.0
  Mg  Mg3  1  0.691  0.309  0.000  1.0
  Mg  Mg4  1  0.317  0.165  0.500  1.0
  Mg  Mg5  1  0.835  0.683  0.500  1.0
  Mg  Mg6  1  0.870  0.130  0.500  1.0
  Ni  Ni7  1  0.102  0.898  0.000  1.0
[/CIF]
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The material described by BaMg6Ni crystallizes in the orthorhombic Amm2 space group. Ba(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 Ba(1), two equivalent Mg(4), and one Ni(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to four equivalent Ba(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 Ba(1), one Mg(4), two equivalent Mg(2), and two equivalent Ni(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. is represented by the CIF card [CIF]
data_BaMg6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.043
_cell_length_b   8.043
_cell_length_c   4.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.177
_symmetry_Int_Tables_number   1
_cell_volume   209.090
_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
  Ba  Ba0  1  0.279  0.721  0.500  1.0
  Mg  Mg1  1  0.206  0.300  0.000  1.0
  Mg  Mg2  1  0.700  0.794  0.000  1.0
  Mg  Mg3  1  0.691  0.309  0.000  1.0
  Mg  Mg4  1  0.317  0.165  0.500  1.0
  Mg  Mg5  1  0.835  0.683  0.500  1.0
  Mg  Mg6  1  0.870  0.130  0.500  1.0
  Ni  Ni7  1  0.102  0.898  0.000  1.0
[/CIF]
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