The material structure described by ErMoB4 crystallizes in the orthorhombic Pbam space group. Er(1) is bonded in a 18-coordinate geometry to four equivalent Mo(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mo(1) is bonded in a 15-coordinate geometry to four equivalent Er(1), one Mo(1), 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 Er(1), two equivalent Mo(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 Er(1), two equivalent Mo(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 Er(1), four equivalent Mo(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 Er(1), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.606
_cell_length_b   6.007
_cell_length_c   11.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.679
_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  0.000  0.627  0.350  1.0
  Er  Er1  1  0.000  0.373  0.650  1.0
  Er  Er2  1  0.000  0.127  0.150  1.0
  Er  Er3  1  0.000  0.873  0.850  1.0
  B  B4  1  0.500  0.787  0.187  1.0
  B  B5  1  0.500  0.213  0.813  1.0
  B  B6  1  0.500  0.287  0.313  1.0
  B  B7  1  0.500  0.713  0.687  1.0
  B  B8  1  0.500  0.868  0.032  1.0
  B  B9  1  0.500  0.132  0.968  1.0
  B  B10  1  0.500  0.368  0.468  1.0
  B  B11  1  0.500  0.632  0.532  1.0
  B  B12  1  0.500  0.885  0.453  1.0
  B  B13  1  0.500  0.115  0.547  1.0
  B  B14  1  0.500  0.385  0.047  1.0
  B  B15  1  0.500  0.615  0.953  1.0
  B  B16  1  0.500  0.976  0.306  1.0
  B  B17  1  0.500  0.024  0.694  1.0
  B  B18  1  0.500  0.476  0.194  1.0
  B  B19  1  0.500  0.524  0.806  1.0
  Mo  Mo20  1  0.000  0.630  0.084  1.0
  Mo  Mo21  1  0.000  0.370  0.916  1.0
  Mo  Mo22  1  0.000  0.130  0.416  1.0
  Mo  Mo23  1  0.000  0.870  0.584  1.0
[/CIF]
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The material structure described by ErMoB4 crystallizes in the orthorhombic Pbam space group. Er(1) is bonded in a 18-coordinate geometry to four equivalent Mo(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mo(1) is bonded in a 15-coordinate geometry to four equivalent Er(1), one Mo(1), 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 Er(1), two equivalent Mo(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 Er(1), two equivalent Mo(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 Er(1), four equivalent Mo(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 Er(1), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.606
_cell_length_b   6.007
_cell_length_c   11.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.679
_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  0.000  0.627  0.350  1.0
  Er  Er1  1  0.000  0.373  0.650  1.0
  Er  Er2  1  0.000  0.127  0.150  1.0
  Er  Er3  1  0.000  0.873  0.850  1.0
  B  B4  1  0.500  0.787  0.187  1.0
  B  B5  1  0.500  0.213  0.813  1.0
  B  B6  1  0.500  0.287  0.313  1.0
  B  B7  1  0.500  0.713  0.687  1.0
  B  B8  1  0.500  0.868  0.032  1.0
  B  B9  1  0.500  0.132  0.968  1.0
  B  B10  1  0.500  0.368  0.468  1.0
  B  B11  1  0.500  0.632  0.532  1.0
  B  B12  1  0.500  0.885  0.453  1.0
  B  B13  1  0.500  0.115  0.547  1.0
  B  B14  1  0.500  0.385  0.047  1.0
  B  B15  1  0.500  0.615  0.953  1.0
  B  B16  1  0.500  0.976  0.306  1.0
  B  B17  1  0.500  0.024  0.694  1.0
  B  B18  1  0.500  0.476  0.194  1.0
  B  B19  1  0.500  0.524  0.806  1.0
  Mo  Mo20  1  0.000  0.630  0.084  1.0
  Mo  Mo21  1  0.000  0.370  0.916  1.0
  Mo  Mo22  1  0.000  0.130  0.416  1.0
  Mo  Mo23  1  0.000  0.870  0.584  1.0
[/CIF]
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