The crystal structure described by Mn2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a cuboctahedral geometry to twelve equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded to one Mn(1) and three equivalent B(1) atoms to form a mixture of edge and corner-sharing NiMnB3 tetrahedra. In the third Ni site, Ni(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(2) and four equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_Mn2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.358
_cell_length_b   7.358
_cell_length_c   7.358
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   281.646
_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
  Mn  Mn0  1  0.750  0.750  0.750  1.0
  Mn  Mn1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.619  0.619  0.142  1.0
  Ni  Ni4  1  0.619  0.142  0.619  1.0
  Ni  Ni5  1  0.142  0.619  0.619  1.0
  Ni  Ni6  1  0.619  0.619  0.619  1.0
  Ni  Ni7  1  0.381  0.381  0.858  1.0
  Ni  Ni8  1  0.381  0.858  0.381  1.0
  Ni  Ni9  1  0.858  0.381  0.381  1.0
  Ni  Ni10  1  0.381  0.381  0.381  1.0
  Ni  Ni11  1  0.000  0.000  0.340  1.0
  Ni  Ni12  1  0.660  0.000  0.340  1.0
  Ni  Ni13  1  0.000  0.660  0.340  1.0
  Ni  Ni14  1  0.660  0.340  0.000  1.0
  Ni  Ni15  1  0.000  0.340  0.000  1.0
  Ni  Ni16  1  0.000  0.340  0.660  1.0
  Ni  Ni17  1  0.340  0.660  0.000  1.0
  Ni  Ni18  1  0.340  0.000  0.660  1.0
  Ni  Ni19  1  0.340  0.000  0.000  1.0
  Ni  Ni20  1  0.000  0.000  0.660  1.0
  Ni  Ni21  1  0.000  0.660  0.000  1.0
  Ni  Ni22  1  0.660  0.000  0.000  1.0
  B  B23  1  0.730  0.730  0.270  1.0
  B  B24  1  0.270  0.730  0.270  1.0
  B  B25  1  0.730  0.270  0.270  1.0
  B  B26  1  0.270  0.270  0.730  1.0
  B  B27  1  0.730  0.270  0.730  1.0
  B  B28  1  0.270  0.730  0.730  1.0
[/CIF]
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The crystal structure described by Mn2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a cuboctahedral geometry to twelve equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded to one Mn(1) and three equivalent B(1) atoms to form a mixture of edge and corner-sharing NiMnB3 tetrahedra. In the third Ni site, Ni(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(2) and four equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_Mn2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.358
_cell_length_b   7.358
_cell_length_c   7.358
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   281.646
_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
  Mn  Mn0  1  0.750  0.750  0.750  1.0
  Mn  Mn1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.619  0.619  0.142  1.0
  Ni  Ni4  1  0.619  0.142  0.619  1.0
  Ni  Ni5  1  0.142  0.619  0.619  1.0
  Ni  Ni6  1  0.619  0.619  0.619  1.0
  Ni  Ni7  1  0.381  0.381  0.858  1.0
  Ni  Ni8  1  0.381  0.858  0.381  1.0
  Ni  Ni9  1  0.858  0.381  0.381  1.0
  Ni  Ni10  1  0.381  0.381  0.381  1.0
  Ni  Ni11  1  0.000  0.000  0.340  1.0
  Ni  Ni12  1  0.660  0.000  0.340  1.0
  Ni  Ni13  1  0.000  0.660  0.340  1.0
  Ni  Ni14  1  0.660  0.340  0.000  1.0
  Ni  Ni15  1  0.000  0.340  0.000  1.0
  Ni  Ni16  1  0.000  0.340  0.660  1.0
  Ni  Ni17  1  0.340  0.660  0.000  1.0
  Ni  Ni18  1  0.340  0.000  0.660  1.0
  Ni  Ni19  1  0.340  0.000  0.000  1.0
  Ni  Ni20  1  0.000  0.000  0.660  1.0
  Ni  Ni21  1  0.000  0.660  0.000  1.0
  Ni  Ni22  1  0.660  0.000  0.000  1.0
  B  B23  1  0.730  0.730  0.270  1.0
  B  B24  1  0.270  0.730  0.270  1.0
  B  B25  1  0.730  0.270  0.270  1.0
  B  B26  1  0.270  0.270  0.730  1.0
  B  B27  1  0.730  0.270  0.730  1.0
  B  B28  1  0.270  0.730  0.730  1.0
[/CIF]
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