The material structure described by Tb3MoB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 10-coordinate geometry to four equivalent B(3) and six equivalent B(2) atoms. In the second Tb site, Tb(2) is bonded in a 11-coordinate geometry to two equivalent B(3), two equivalent B(4), three equivalent B(2), and four equivalent B(1) atoms. Mo(1) is bonded in a 10-coordinate geometry to two equivalent B(4), four equivalent B(1), 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 Tb(2), two equivalent Mo(1), one B(1), one B(3), and one B(4) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), one B(3), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), two equivalent Mo(1), one B(1), one B(2), and one B(3) atom. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to four equivalent Tb(2), two equivalent Mo(1), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Tb3B7Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.215
_cell_length_b   8.215
_cell_length_c   9.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   155.499
_symmetry_Int_Tables_number   1
_cell_volume   265.734
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.257  0.743  0.250  1.0
  Tb  Tb1  1  0.743  0.257  0.750  1.0
  Tb  Tb2  1  0.606  0.394  0.061  1.0
  Tb  Tb3  1  0.394  0.606  0.939  1.0
  Tb  Tb4  1  0.394  0.606  0.561  1.0
  Tb  Tb5  1  0.606  0.394  0.439  1.0
  B  B6  1  0.980  0.020  0.093  1.0
  B  B7  1  0.020  0.980  0.907  1.0
  B  B8  1  0.020  0.980  0.593  1.0
  B  B9  1  0.980  0.020  0.407  1.0
  B  B10  1  0.773  0.227  0.033  1.0
  B  B11  1  0.227  0.773  0.967  1.0
  B  B12  1  0.227  0.773  0.533  1.0
  B  B13  1  0.773  0.227  0.467  1.0
  B  B14  1  0.866  0.134  0.147  1.0
  B  B15  1  0.134  0.866  0.853  1.0
  B  B16  1  0.134  0.866  0.647  1.0
  B  B17  1  0.866  0.134  0.353  1.0
  B  B18  1  0.042  0.958  0.250  1.0
  B  B19  1  0.958  0.042  0.750  1.0
  Mo  Mo20  1  0.446  0.554  0.250  1.0
  Mo  Mo21  1  0.554  0.446  0.750  1.0
[/CIF]
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The material structure described by Tb3MoB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 10-coordinate geometry to four equivalent B(3) and six equivalent B(2) atoms. In the second Tb site, Tb(2) is bonded in a 11-coordinate geometry to two equivalent B(3), two equivalent B(4), three equivalent B(2), and four equivalent B(1) atoms. Mo(1) is bonded in a 10-coordinate geometry to two equivalent B(4), four equivalent B(1), 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 Tb(2), two equivalent Mo(1), one B(1), one B(3), and one B(4) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), one B(3), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), two equivalent Mo(1), one B(1), one B(2), and one B(3) atom. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to four equivalent Tb(2), two equivalent Mo(1), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Tb3B7Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.215
_cell_length_b   8.215
_cell_length_c   9.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   155.499
_symmetry_Int_Tables_number   1
_cell_volume   265.734
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.257  0.743  0.250  1.0
  Tb  Tb1  1  0.743  0.257  0.750  1.0
  Tb  Tb2  1  0.606  0.394  0.061  1.0
  Tb  Tb3  1  0.394  0.606  0.939  1.0
  Tb  Tb4  1  0.394  0.606  0.561  1.0
  Tb  Tb5  1  0.606  0.394  0.439  1.0
  B  B6  1  0.980  0.020  0.093  1.0
  B  B7  1  0.020  0.980  0.907  1.0
  B  B8  1  0.020  0.980  0.593  1.0
  B  B9  1  0.980  0.020  0.407  1.0
  B  B10  1  0.773  0.227  0.033  1.0
  B  B11  1  0.227  0.773  0.967  1.0
  B  B12  1  0.227  0.773  0.533  1.0
  B  B13  1  0.773  0.227  0.467  1.0
  B  B14  1  0.866  0.134  0.147  1.0
  B  B15  1  0.134  0.866  0.853  1.0
  B  B16  1  0.134  0.866  0.647  1.0
  B  B17  1  0.866  0.134  0.353  1.0
  B  B18  1  0.042  0.958  0.250  1.0
  B  B19  1  0.958  0.042  0.750  1.0
  Mo  Mo20  1  0.446  0.554  0.250  1.0
  Mo  Mo21  1  0.554  0.446  0.750  1.0
[/CIF]
.