The crystal structure described by NdMnB4 crystallizes in the orthorhombic Pbam space group. Nd(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(1), one B(2), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(1), one B(1), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Mn(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_NdMnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.020
_cell_length_b   11.647
_cell_length_c   3.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.118
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.625  0.349  0.000  1.0
  Nd  Nd1  1  0.375  0.651  0.000  1.0
  Nd  Nd2  1  0.125  0.151  0.000  1.0
  Nd  Nd3  1  0.875  0.849  0.000  1.0
  Mn  Mn4  1  0.626  0.082  0.000  1.0
  Mn  Mn5  1  0.374  0.918  0.000  1.0
  Mn  Mn6  1  0.126  0.418  0.000  1.0
  Mn  Mn7  1  0.874  0.582  0.000  1.0
  B  B8  1  0.777  0.181  0.500  1.0
  B  B9  1  0.223  0.819  0.500  1.0
  B  B10  1  0.277  0.319  0.500  1.0
  B  B11  1  0.723  0.681  0.500  1.0
  B  B12  1  0.858  0.033  0.500  1.0
  B  B13  1  0.142  0.967  0.500  1.0
  B  B14  1  0.358  0.467  0.500  1.0
  B  B15  1  0.642  0.533  0.500  1.0
  B  B16  1  0.890  0.455  0.500  1.0
  B  B17  1  0.110  0.545  0.500  1.0
  B  B18  1  0.390  0.045  0.500  1.0
  B  B19  1  0.610  0.955  0.500  1.0
  B  B20  1  0.977  0.312  0.500  1.0
  B  B21  1  0.023  0.688  0.500  1.0
  B  B22  1  0.477  0.188  0.500  1.0
  B  B23  1  0.523  0.812  0.500  1.0
[/CIF]
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The crystal structure described by NdMnB4 crystallizes in the orthorhombic Pbam space group. Nd(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(1), one B(2), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(1), one B(1), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Mn(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_NdMnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.020
_cell_length_b   11.647
_cell_length_c   3.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.118
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.625  0.349  0.000  1.0
  Nd  Nd1  1  0.375  0.651  0.000  1.0
  Nd  Nd2  1  0.125  0.151  0.000  1.0
  Nd  Nd3  1  0.875  0.849  0.000  1.0
  Mn  Mn4  1  0.626  0.082  0.000  1.0
  Mn  Mn5  1  0.374  0.918  0.000  1.0
  Mn  Mn6  1  0.126  0.418  0.000  1.0
  Mn  Mn7  1  0.874  0.582  0.000  1.0
  B  B8  1  0.777  0.181  0.500  1.0
  B  B9  1  0.223  0.819  0.500  1.0
  B  B10  1  0.277  0.319  0.500  1.0
  B  B11  1  0.723  0.681  0.500  1.0
  B  B12  1  0.858  0.033  0.500  1.0
  B  B13  1  0.142  0.967  0.500  1.0
  B  B14  1  0.358  0.467  0.500  1.0
  B  B15  1  0.642  0.533  0.500  1.0
  B  B16  1  0.890  0.455  0.500  1.0
  B  B17  1  0.110  0.545  0.500  1.0
  B  B18  1  0.390  0.045  0.500  1.0
  B  B19  1  0.610  0.955  0.500  1.0
  B  B20  1  0.977  0.312  0.500  1.0
  B  B21  1  0.023  0.688  0.500  1.0
  B  B22  1  0.477  0.188  0.500  1.0
  B  B23  1  0.523  0.812  0.500  1.0
[/CIF]
.