The compound described by Ta(MnB2)2 crystallizes in the orthorhombic Immm space group. Ta(1) is bonded to four equivalent B(1) and eight equivalent B(2) atoms to form a mixture of face and edge-sharing TaB12 cuboctahedra. Mn(1) is bonded in a 7-coordinate geometry to two equivalent B(2) and five equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Ta(1), two equivalent Mn(1), one B(2), and two equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), five equivalent Mn(1), and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta(MnB2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.829
_cell_length_b   6.829
_cell_length_c   6.829
_cell_angle_alpha   154.417
_cell_angle_beta   153.200
_cell_angle_gamma   37.387
_symmetry_Int_Tables_number   1
_cell_volume   61.905
_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
  Ta  Ta0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.188  0.188  0.000  1.0
  Mn  Mn2  1  0.812  0.812  0.000  1.0
  B  B3  1  0.355  0.355  0.000  1.0
  B  B4  1  0.645  0.645  0.000  1.0
  B  B5  1  0.429  0.929  0.500  1.0
  B  B6  1  0.571  0.071  0.500  1.0
[/CIF]
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The compound described by Ta(MnB2)2 crystallizes in the orthorhombic Immm space group. Ta(1) is bonded to four equivalent B(1) and eight equivalent B(2) atoms to form a mixture of face and edge-sharing TaB12 cuboctahedra. Mn(1) is bonded in a 7-coordinate geometry to two equivalent B(2) and five equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Ta(1), two equivalent Mn(1), one B(2), and two equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), five equivalent Mn(1), and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta(MnB2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.829
_cell_length_b   6.829
_cell_length_c   6.829
_cell_angle_alpha   154.417
_cell_angle_beta   153.200
_cell_angle_gamma   37.387
_symmetry_Int_Tables_number   1
_cell_volume   61.905
_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
  Ta  Ta0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.188  0.188  0.000  1.0
  Mn  Mn2  1  0.812  0.812  0.000  1.0
  B  B3  1  0.355  0.355  0.000  1.0
  B  B4  1  0.645  0.645  0.000  1.0
  B  B5  1  0.429  0.929  0.500  1.0
  B  B6  1  0.571  0.071  0.500  1.0
[/CIF]
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