The material described by MoMnCo21B6 crystallizes in the cubic F-43m space group. Mo(1) is bonded in a distorted tetrahedral geometry to four equivalent Co(2) atoms. Mn(1) is bonded in a tetrahedral geometry to four equivalent Co(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted bent 150 degrees geometry to one Co(4) and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded to one Mo(1) and three equivalent B(1) atoms to form CoB3Mo tetrahedra that share corners with six equivalent Co(2)B3Mo tetrahedra and edges with three equivalent Co(3)MnB3 tetrahedra. In the third Co site, Co(3) is bonded to one Mn(1) and three equivalent B(1) atoms to form CoMnB3 tetrahedra that share corners with six equivalent Co(3)MnB3 tetrahedra and edges with three equivalent Co(2)B3Mo tetrahedra. In the fourth Co site, Co(4) is bonded in a cuboctahedral geometry to twelve equivalent Co(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Co(2), two equivalent Co(3), and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCo21B6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.357
_cell_length_b   7.357
_cell_length_c   7.357
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   281.539
_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  0.500  0.750  0.750  1.0
  Co  Co1  1  0.998  0.999  0.662  1.0
  Co  Co2  1  0.339  0.339  0.662  1.0
  Co  Co3  1  0.339  0.999  0.662  1.0
  Co  Co4  1  0.002  0.339  0.999  1.0
  Co  Co5  1  0.661  0.999  0.999  1.0
  Co  Co6  1  0.661  0.999  0.339  1.0
  Co  Co7  1  0.002  0.662  0.999  1.0
  Co  Co8  1  0.661  0.662  0.339  1.0
  Co  Co9  1  0.661  0.662  0.999  1.0
  Co  Co10  1  0.998  0.999  0.339  1.0
  Co  Co11  1  0.339  0.999  0.999  1.0
  Co  Co12  1  0.339  0.339  0.999  1.0
  Co  Co13  1  0.766  0.383  0.851  1.0
  Co  Co14  1  0.234  0.383  0.383  1.0
  Co  Co15  1  0.234  0.851  0.383  1.0
  Co  Co16  1  0.766  0.383  0.383  1.0
  Co  Co17  1  0.245  0.622  0.133  1.0
  Co  Co18  1  0.755  0.622  0.622  1.0
  Co  Co19  1  0.755  0.133  0.622  1.0
  Co  Co20  1  0.245  0.622  0.622  1.0
  Co  Co21  1  0.000  0.000  0.000  1.0
  B  B22  1  0.550  0.275  0.725  1.0
  B  B23  1  0.000  0.725  0.725  1.0
  B  B24  1  0.000  0.275  0.725  1.0
  B  B25  1  0.450  0.725  0.275  1.0
  B  B26  1  0.000  0.275  0.275  1.0
  B  B27  1  0.000  0.725  0.275  1.0
  Mo  Mo28  1  0.500  0.250  0.250  1.0
[/CIF]
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The material described by MoMnCo21B6 crystallizes in the cubic F-43m space group. Mo(1) is bonded in a distorted tetrahedral geometry to four equivalent Co(2) atoms. Mn(1) is bonded in a tetrahedral geometry to four equivalent Co(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted bent 150 degrees geometry to one Co(4) and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded to one Mo(1) and three equivalent B(1) atoms to form CoB3Mo tetrahedra that share corners with six equivalent Co(2)B3Mo tetrahedra and edges with three equivalent Co(3)MnB3 tetrahedra. In the third Co site, Co(3) is bonded to one Mn(1) and three equivalent B(1) atoms to form CoMnB3 tetrahedra that share corners with six equivalent Co(3)MnB3 tetrahedra and edges with three equivalent Co(2)B3Mo tetrahedra. In the fourth Co site, Co(4) is bonded in a cuboctahedral geometry to twelve equivalent Co(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Co(2), two equivalent Co(3), and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCo21B6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.357
_cell_length_b   7.357
_cell_length_c   7.357
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   281.539
_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  0.500  0.750  0.750  1.0
  Co  Co1  1  0.998  0.999  0.662  1.0
  Co  Co2  1  0.339  0.339  0.662  1.0
  Co  Co3  1  0.339  0.999  0.662  1.0
  Co  Co4  1  0.002  0.339  0.999  1.0
  Co  Co5  1  0.661  0.999  0.999  1.0
  Co  Co6  1  0.661  0.999  0.339  1.0
  Co  Co7  1  0.002  0.662  0.999  1.0
  Co  Co8  1  0.661  0.662  0.339  1.0
  Co  Co9  1  0.661  0.662  0.999  1.0
  Co  Co10  1  0.998  0.999  0.339  1.0
  Co  Co11  1  0.339  0.999  0.999  1.0
  Co  Co12  1  0.339  0.339  0.999  1.0
  Co  Co13  1  0.766  0.383  0.851  1.0
  Co  Co14  1  0.234  0.383  0.383  1.0
  Co  Co15  1  0.234  0.851  0.383  1.0
  Co  Co16  1  0.766  0.383  0.383  1.0
  Co  Co17  1  0.245  0.622  0.133  1.0
  Co  Co18  1  0.755  0.622  0.622  1.0
  Co  Co19  1  0.755  0.133  0.622  1.0
  Co  Co20  1  0.245  0.622  0.622  1.0
  Co  Co21  1  0.000  0.000  0.000  1.0
  B  B22  1  0.550  0.275  0.725  1.0
  B  B23  1  0.000  0.725  0.725  1.0
  B  B24  1  0.000  0.275  0.725  1.0
  B  B25  1  0.450  0.725  0.275  1.0
  B  B26  1  0.000  0.275  0.275  1.0
  B  B27  1  0.000  0.725  0.275  1.0
  Mo  Mo28  1  0.500  0.250  0.250  1.0
[/CIF]
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