The material described by ErB4 crystallizes in the tetragonal P4/mbm space group. Er(1) is bonded in a 8-coordinate geometry to four equivalent B(1) and four equivalent B(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent B(1), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 5-coordinate geometry to four equivalent Er(1) and one B(2) atom. In the third B site, B(3) is bonded in a 5-coordinate geometry to one B(3) and four equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ErB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.401
_cell_length_b   8.401
_cell_length_c   4.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.238
_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
  Er  Er0  1  0.137  0.637  0.000  1.0
  Er  Er1  1  0.863  0.363  0.000  1.0
  Er  Er2  1  0.363  0.137  0.000  1.0
  Er  Er3  1  0.637  0.863  0.000  1.0
  B  B4  1  0.944  0.870  0.000  1.0
  B  B5  1  0.056  0.130  0.000  1.0
  B  B6  1  0.435  0.935  0.500  1.0
  B  B7  1  0.000  0.000  0.692  1.0
  B  B8  1  0.935  0.565  0.500  1.0
  B  B9  1  0.630  0.556  0.000  1.0
  B  B10  1  0.065  0.435  0.500  1.0
  B  B11  1  0.500  0.500  0.308  1.0
  B  B12  1  0.870  0.056  0.000  1.0
  B  B13  1  0.000  0.000  0.308  1.0
  B  B14  1  0.370  0.444  0.000  1.0
  B  B15  1  0.130  0.944  0.000  1.0
  B  B16  1  0.500  0.500  0.692  1.0
  B  B17  1  0.565  0.065  0.500  1.0
  B  B18  1  0.556  0.370  0.000  1.0
  B  B19  1  0.444  0.630  0.000  1.0
[/CIF]
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The material described by ErB4 crystallizes in the tetragonal P4/mbm space group. Er(1) is bonded in a 8-coordinate geometry to four equivalent B(1) and four equivalent B(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent B(1), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 5-coordinate geometry to four equivalent Er(1) and one B(2) atom. In the third B site, B(3) is bonded in a 5-coordinate geometry to one B(3) and four equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ErB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.401
_cell_length_b   8.401
_cell_length_c   4.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.238
_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
  Er  Er0  1  0.137  0.637  0.000  1.0
  Er  Er1  1  0.863  0.363  0.000  1.0
  Er  Er2  1  0.363  0.137  0.000  1.0
  Er  Er3  1  0.637  0.863  0.000  1.0
  B  B4  1  0.944  0.870  0.000  1.0
  B  B5  1  0.056  0.130  0.000  1.0
  B  B6  1  0.435  0.935  0.500  1.0
  B  B7  1  0.000  0.000  0.692  1.0
  B  B8  1  0.935  0.565  0.500  1.0
  B  B9  1  0.630  0.556  0.000  1.0
  B  B10  1  0.065  0.435  0.500  1.0
  B  B11  1  0.500  0.500  0.308  1.0
  B  B12  1  0.870  0.056  0.000  1.0
  B  B13  1  0.000  0.000  0.308  1.0
  B  B14  1  0.370  0.444  0.000  1.0
  B  B15  1  0.130  0.944  0.000  1.0
  B  B16  1  0.500  0.500  0.692  1.0
  B  B17  1  0.565  0.065  0.500  1.0
  B  B18  1  0.556  0.370  0.000  1.0
  B  B19  1  0.444  0.630  0.000  1.0
[/CIF]
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