The structure described by TmMnB4 crystallizes in the orthorhombic Pbam space group. Tm(1) is bonded in a 14-coordinate geometry to two equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent B(2), two equivalent B(3), two equivalent B(4), and four equivalent B(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Tm(1), four equivalent Mn(1), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Tm(1), two equivalent Mn(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Tm(1), two equivalent Mn(1), one B(1), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Tm(1), two equivalent Mn(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_TmMnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.346
_cell_length_b   5.897
_cell_length_c   11.414
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.220
_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
  Tm  Tm0  1  0.500  0.372  0.150  1.0
  Tm  Tm1  1  0.500  0.628  0.850  1.0
  Tm  Tm2  1  0.500  0.128  0.650  1.0
  Tm  Tm3  1  0.500  0.872  0.350  1.0
  Mn  Mn4  1  0.500  0.368  0.413  1.0
  Mn  Mn5  1  0.500  0.632  0.587  1.0
  Mn  Mn6  1  0.500  0.132  0.913  1.0
  Mn  Mn7  1  0.500  0.868  0.087  1.0
  B  B8  1  0.000  0.113  0.047  1.0
  B  B9  1  0.000  0.887  0.953  1.0
  B  B10  1  0.000  0.387  0.547  1.0
  B  B11  1  0.000  0.613  0.453  1.0
  B  B12  1  1.000  0.137  0.468  1.0
  B  B13  1  1.000  0.863  0.532  1.0
  B  B14  1  0.000  0.363  0.968  1.0
  B  B15  1  0.000  0.637  0.032  1.0
  B  B16  1  0.000  0.023  0.192  1.0
  B  B17  1  0.000  0.977  0.808  1.0
  B  B18  1  1.000  0.477  0.692  1.0
  B  B19  1  0.000  0.523  0.308  1.0
  B  B20  1  1.000  0.215  0.315  1.0
  B  B21  1  1.000  0.785  0.685  1.0
  B  B22  1  1.000  0.285  0.815  1.0
  B  B23  1  1.000  0.715  0.185  1.0
[/CIF]
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The structure described by TmMnB4 crystallizes in the orthorhombic Pbam space group. Tm(1) is bonded in a 14-coordinate geometry to two equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent B(2), two equivalent B(3), two equivalent B(4), and four equivalent B(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Tm(1), four equivalent Mn(1), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Tm(1), two equivalent Mn(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Tm(1), two equivalent Mn(1), one B(1), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Tm(1), two equivalent Mn(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_TmMnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.346
_cell_length_b   5.897
_cell_length_c   11.414
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.220
_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
  Tm  Tm0  1  0.500  0.372  0.150  1.0
  Tm  Tm1  1  0.500  0.628  0.850  1.0
  Tm  Tm2  1  0.500  0.128  0.650  1.0
  Tm  Tm3  1  0.500  0.872  0.350  1.0
  Mn  Mn4  1  0.500  0.368  0.413  1.0
  Mn  Mn5  1  0.500  0.632  0.587  1.0
  Mn  Mn6  1  0.500  0.132  0.913  1.0
  Mn  Mn7  1  0.500  0.868  0.087  1.0
  B  B8  1  0.000  0.113  0.047  1.0
  B  B9  1  0.000  0.887  0.953  1.0
  B  B10  1  0.000  0.387  0.547  1.0
  B  B11  1  0.000  0.613  0.453  1.0
  B  B12  1  1.000  0.137  0.468  1.0
  B  B13  1  1.000  0.863  0.532  1.0
  B  B14  1  0.000  0.363  0.968  1.0
  B  B15  1  0.000  0.637  0.032  1.0
  B  B16  1  0.000  0.023  0.192  1.0
  B  B17  1  0.000  0.977  0.808  1.0
  B  B18  1  1.000  0.477  0.692  1.0
  B  B19  1  0.000  0.523  0.308  1.0
  B  B20  1  1.000  0.215  0.315  1.0
  B  B21  1  1.000  0.785  0.685  1.0
  B  B22  1  1.000  0.285  0.815  1.0
  B  B23  1  1.000  0.715  0.185  1.0
[/CIF]
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