The material described by TmCrB4 crystallizes in the orthorhombic Pbam space group. Tm(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. Cr(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 Tm(1), two equivalent Cr(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 Tm(1), two equivalent Cr(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 Tm(1), four equivalent Cr(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 Tm(1), two equivalent Cr(1), one B(3), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmCrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.407
_cell_length_b   5.887
_cell_length_c   11.372
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.132
_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  0.000  0.626  0.349  1.0
  Tm  Tm1  1  0.000  0.374  0.651  1.0
  Tm  Tm2  1  0.000  0.126  0.151  1.0
  Tm  Tm3  1  0.000  0.874  0.849  1.0
  Cr  Cr4  1  0.000  0.623  0.080  1.0
  Cr  Cr5  1  0.000  0.377  0.920  1.0
  Cr  Cr6  1  0.000  0.123  0.420  1.0
  Cr  Cr7  1  0.000  0.877  0.580  1.0
  B  B8  1  0.500  0.783  0.185  1.0
  B  B9  1  0.500  0.217  0.815  1.0
  B  B10  1  0.500  0.283  0.315  1.0
  B  B11  1  0.500  0.717  0.685  1.0
  B  B12  1  0.500  0.864  0.033  1.0
  B  B13  1  0.500  0.136  0.967  1.0
  B  B14  1  0.500  0.364  0.467  1.0
  B  B15  1  0.500  0.636  0.533  1.0
  B  B16  1  0.500  0.886  0.453  1.0
  B  B17  1  0.500  0.114  0.547  1.0
  B  B18  1  0.500  0.386  0.047  1.0
  B  B19  1  0.500  0.614  0.953  1.0
  B  B20  1  0.500  0.976  0.308  1.0
  B  B21  1  0.500  0.024  0.692  1.0
  B  B22  1  0.500  0.476  0.192  1.0
  B  B23  1  0.500  0.524  0.808  1.0
[/CIF]
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The material described by TmCrB4 crystallizes in the orthorhombic Pbam space group. Tm(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. Cr(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 Tm(1), two equivalent Cr(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 Tm(1), two equivalent Cr(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 Tm(1), four equivalent Cr(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 Tm(1), two equivalent Cr(1), one B(3), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmCrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.407
_cell_length_b   5.887
_cell_length_c   11.372
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.132
_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  0.000  0.626  0.349  1.0
  Tm  Tm1  1  0.000  0.374  0.651  1.0
  Tm  Tm2  1  0.000  0.126  0.151  1.0
  Tm  Tm3  1  0.000  0.874  0.849  1.0
  Cr  Cr4  1  0.000  0.623  0.080  1.0
  Cr  Cr5  1  0.000  0.377  0.920  1.0
  Cr  Cr6  1  0.000  0.123  0.420  1.0
  Cr  Cr7  1  0.000  0.877  0.580  1.0
  B  B8  1  0.500  0.783  0.185  1.0
  B  B9  1  0.500  0.217  0.815  1.0
  B  B10  1  0.500  0.283  0.315  1.0
  B  B11  1  0.500  0.717  0.685  1.0
  B  B12  1  0.500  0.864  0.033  1.0
  B  B13  1  0.500  0.136  0.967  1.0
  B  B14  1  0.500  0.364  0.467  1.0
  B  B15  1  0.500  0.636  0.533  1.0
  B  B16  1  0.500  0.886  0.453  1.0
  B  B17  1  0.500  0.114  0.547  1.0
  B  B18  1  0.500  0.386  0.047  1.0
  B  B19  1  0.500  0.614  0.953  1.0
  B  B20  1  0.500  0.976  0.308  1.0
  B  B21  1  0.500  0.024  0.692  1.0
  B  B22  1  0.500  0.476  0.192  1.0
  B  B23  1  0.500  0.524  0.808  1.0
[/CIF]
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