The material described by Nb4Mo11B20 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent B(1), two equivalent B(4), four equivalent B(6), and four equivalent B(9) atoms to form a mixture of face and edge-sharing NbB12 cuboctahedra. In the second Nb site, Nb(2) is bonded to two equivalent B(2), two equivalent B(3), four equivalent B(7), and four equivalent B(8) atoms to form a mixture of face and edge-sharing NbB12 cuboctahedra. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one B(1), two equivalent B(10), and four equivalent B(5) atoms. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(9), and four equivalent B(4) atoms. In the third Mo site, Mo(3) is bonded in a 7-coordinate geometry to two equivalent B(8) and five equivalent B(3) atoms. In the fourth Mo site, Mo(4) is bonded in a 7-coordinate geometry to one B(4), two equivalent B(7), and four equivalent B(2) atoms. In the fifth Mo site, Mo(5) is bonded in a 7-coordinate geometry to one B(5), two equivalent B(6), and four equivalent B(1) atoms. In the sixth Mo site, Mo(6) is bonded to four equivalent B(5) and eight equivalent B(10) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are ten inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), one Mo(1), four equivalent Mo(5), and two equivalent B(6) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Nb(2), one Mo(2), four equivalent Mo(4), and two equivalent B(7) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Nb(2), five equivalent Mo(3), and two equivalent B(8) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Nb(1), one Mo(4), four equivalent Mo(2), and two equivalent B(9) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to one Mo(5), two equivalent Mo(6), four equivalent Mo(1), and two equivalent B(10) atoms. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to four equivalent Nb(1), two equivalent Mo(5), one B(9), and two equivalent B(1) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to four equivalent Nb(2), two equivalent Mo(4), one B(8), and two equivalent B(2) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to four equivalent Nb(2), two equivalent Mo(3), one B(7), and two equivalent B(3) atoms. In the ninth B site, B(9) is bonded in a 9-coordinate geometry to four equivalent Nb(1), two equivalent Mo(2), one B(6), and two equivalent B(4) atoms. In the tenth B site, B(10) is bonded in a 9-coordinate geometry to two equivalent Mo(1), four equivalent Mo(6), one B(10), and two equivalent B(5) atoms. is represented by the CIF card [CIF]
data_Nb4B20Mo11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.104
_cell_length_b   3.207
_cell_length_c   35.064
_cell_angle_alpha   92.621
_cell_angle_beta   92.537
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   348.398
_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
  Nb  Nb0  1  0.100  0.600  0.200  1.0
  Nb  Nb1  1  0.700  0.200  0.400  1.0
  Nb  Nb2  1  0.300  0.800  0.600  1.0
  Nb  Nb3  1  0.900  0.400  0.800  1.0
  B  B4  1  0.073  0.073  0.146  1.0
  B  B5  1  0.673  0.673  0.346  1.0
  B  B6  1  0.273  0.273  0.546  1.0
  B  B7  1  0.873  0.873  0.746  1.0
  B  B8  1  0.473  0.473  0.946  1.0
  B  B9  1  0.527  0.527  0.054  1.0
  B  B10  1  0.127  0.127  0.254  1.0
  B  B11  1  0.727  0.727  0.454  1.0
  B  B12  1  0.327  0.327  0.654  1.0
  B  B13  1  0.927  0.927  0.854  1.0
  B  B14  1  0.587  0.087  0.173  1.0
  B  B15  1  0.187  0.687  0.374  1.0
  B  B16  1  0.787  0.287  0.574  1.0
  B  B17  1  0.387  0.887  0.774  1.0
  B  B18  1  0.987  0.487  0.974  1.0
  B  B19  1  0.013  0.513  0.026  1.0
  B  B20  1  0.613  0.113  0.226  1.0
  B  B21  1  0.213  0.713  0.426  1.0
  B  B22  1  0.813  0.313  0.626  1.0
  B  B23  1  0.413  0.913  0.827  1.0
  Mo  Mo24  1  0.037  0.037  0.073  1.0
  Mo  Mo25  1  0.637  0.637  0.274  1.0
  Mo  Mo26  1  0.237  0.237  0.474  1.0
  Mo  Mo27  1  0.837  0.837  0.674  1.0
  Mo  Mo28  1  0.437  0.437  0.874  1.0
  Mo  Mo29  1  0.563  0.563  0.126  1.0
  Mo  Mo30  1  0.163  0.163  0.326  1.0
  Mo  Mo31  1  0.763  0.763  0.526  1.0
  Mo  Mo32  1  0.363  0.363  0.726  1.0
  Mo  Mo33  1  0.963  0.963  0.927  1.0
  Mo  Mo34  1  0.500  0.000  0.000  1.0
[/CIF]
.
The material described by Nb4Mo11B20 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent B(1), two equivalent B(4), four equivalent B(6), and four equivalent B(9) atoms to form a mixture of face and edge-sharing NbB12 cuboctahedra. In the second Nb site, Nb(2) is bonded to two equivalent B(2), two equivalent B(3), four equivalent B(7), and four equivalent B(8) atoms to form a mixture of face and edge-sharing NbB12 cuboctahedra. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one B(1), two equivalent B(10), and four equivalent B(5) atoms. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(9), and four equivalent B(4) atoms. In the third Mo site, Mo(3) is bonded in a 7-coordinate geometry to two equivalent B(8) and five equivalent B(3) atoms. In the fourth Mo site, Mo(4) is bonded in a 7-coordinate geometry to one B(4), two equivalent B(7), and four equivalent B(2) atoms. In the fifth Mo site, Mo(5) is bonded in a 7-coordinate geometry to one B(5), two equivalent B(6), and four equivalent B(1) atoms. In the sixth Mo site, Mo(6) is bonded to four equivalent B(5) and eight equivalent B(10) atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are ten inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), one Mo(1), four equivalent Mo(5), and two equivalent B(6) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Nb(2), one Mo(2), four equivalent Mo(4), and two equivalent B(7) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Nb(2), five equivalent Mo(3), and two equivalent B(8) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Nb(1), one Mo(4), four equivalent Mo(2), and two equivalent B(9) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to one Mo(5), two equivalent Mo(6), four equivalent Mo(1), and two equivalent B(10) atoms. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to four equivalent Nb(1), two equivalent Mo(5), one B(9), and two equivalent B(1) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to four equivalent Nb(2), two equivalent Mo(4), one B(8), and two equivalent B(2) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to four equivalent Nb(2), two equivalent Mo(3), one B(7), and two equivalent B(3) atoms. In the ninth B site, B(9) is bonded in a 9-coordinate geometry to four equivalent Nb(1), two equivalent Mo(2), one B(6), and two equivalent B(4) atoms. In the tenth B site, B(10) is bonded in a 9-coordinate geometry to two equivalent Mo(1), four equivalent Mo(6), one B(10), and two equivalent B(5) atoms. is represented by the CIF card [CIF]
data_Nb4B20Mo11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.104
_cell_length_b   3.207
_cell_length_c   35.064
_cell_angle_alpha   92.621
_cell_angle_beta   92.537
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   348.398
_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
  Nb  Nb0  1  0.100  0.600  0.200  1.0
  Nb  Nb1  1  0.700  0.200  0.400  1.0
  Nb  Nb2  1  0.300  0.800  0.600  1.0
  Nb  Nb3  1  0.900  0.400  0.800  1.0
  B  B4  1  0.073  0.073  0.146  1.0
  B  B5  1  0.673  0.673  0.346  1.0
  B  B6  1  0.273  0.273  0.546  1.0
  B  B7  1  0.873  0.873  0.746  1.0
  B  B8  1  0.473  0.473  0.946  1.0
  B  B9  1  0.527  0.527  0.054  1.0
  B  B10  1  0.127  0.127  0.254  1.0
  B  B11  1  0.727  0.727  0.454  1.0
  B  B12  1  0.327  0.327  0.654  1.0
  B  B13  1  0.927  0.927  0.854  1.0
  B  B14  1  0.587  0.087  0.173  1.0
  B  B15  1  0.187  0.687  0.374  1.0
  B  B16  1  0.787  0.287  0.574  1.0
  B  B17  1  0.387  0.887  0.774  1.0
  B  B18  1  0.987  0.487  0.974  1.0
  B  B19  1  0.013  0.513  0.026  1.0
  B  B20  1  0.613  0.113  0.226  1.0
  B  B21  1  0.213  0.713  0.426  1.0
  B  B22  1  0.813  0.313  0.626  1.0
  B  B23  1  0.413  0.913  0.827  1.0
  Mo  Mo24  1  0.037  0.037  0.073  1.0
  Mo  Mo25  1  0.637  0.637  0.274  1.0
  Mo  Mo26  1  0.237  0.237  0.474  1.0
  Mo  Mo27  1  0.837  0.837  0.674  1.0
  Mo  Mo28  1  0.437  0.437  0.874  1.0
  Mo  Mo29  1  0.563  0.563  0.126  1.0
  Mo  Mo30  1  0.163  0.163  0.326  1.0
  Mo  Mo31  1  0.763  0.763  0.526  1.0
  Mo  Mo32  1  0.363  0.363  0.726  1.0
  Mo  Mo33  1  0.963  0.963  0.927  1.0
  Mo  Mo34  1  0.500  0.000  0.000  1.0
[/CIF]
.