The material described by ErMo3B7 crystallizes in the orthorhombic Pnma space group. Er(1) is bonded in a 12-coordinate geometry to one B(2), one B(4), two equivalent B(1), two equivalent B(3), two equivalent B(6), two equivalent B(7), and three equivalent B(5) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one B(1), one B(6), two equivalent B(4), two equivalent B(7), three equivalent B(2), and three equivalent B(3) atoms to form face-sharing MoB12 cuboctahedra. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one B(4), one B(7), two equivalent B(1), two equivalent B(6), and three equivalent B(5) atoms. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one B(3), one B(6), one B(7), two equivalent B(1), two equivalent B(2), and two equivalent B(4) atoms. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Mo(1), two equivalent Mo(2), two equivalent Mo(3), and two equivalent B(7) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Er(1), two equivalent Mo(3), three equivalent Mo(1), one B(4), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Mo(3), three equivalent Mo(1), one B(7), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Er(1), one Mo(2), two equivalent Mo(1), two equivalent Mo(3), one B(2), and two equivalent B(6) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to three equivalent Er(1), three equivalent Mo(2), one B(6), and two equivalent B(5) atoms. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Mo(1), one Mo(3), two equivalent Mo(2), one B(5), and two equivalent B(4) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Mo(2), one Mo(3), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ErB7Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.091
_cell_length_b   10.999
_cell_length_c   12.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   435.357
_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  0.750  0.552  0.308  1.0
  Er  Er1  1  0.250  0.448  0.692  1.0
  Er  Er2  1  0.250  0.948  0.808  1.0
  Er  Er3  1  0.750  0.052  0.192  1.0
  B  B4  1  0.750  0.751  0.174  1.0
  B  B5  1  0.250  0.249  0.826  1.0
  B  B6  1  0.250  0.749  0.674  1.0
  B  B7  1  0.750  0.251  0.326  1.0
  B  B8  1  0.750  0.932  0.384  1.0
  B  B9  1  0.250  0.068  0.616  1.0
  B  B10  1  0.250  0.568  0.884  1.0
  B  B11  1  0.750  0.432  0.116  1.0
  B  B12  1  0.750  0.989  0.638  1.0
  B  B13  1  0.250  0.011  0.362  1.0
  B  B14  1  0.250  0.511  0.138  1.0
  B  B15  1  0.750  0.489  0.862  1.0
  B  B16  1  0.750  0.769  0.418  1.0
  B  B17  1  0.250  0.231  0.582  1.0
  B  B18  1  0.250  0.731  0.918  1.0
  B  B19  1  0.750  0.269  0.082  1.0
  B  B20  1  0.750  0.963  0.982  1.0
  B  B21  1  0.250  0.037  0.018  1.0
  B  B22  1  0.250  0.537  0.482  1.0
  B  B23  1  0.750  0.463  0.518  1.0
  B  B24  1  0.750  0.814  0.933  1.0
  B  B25  1  0.250  0.186  0.067  1.0
  B  B26  1  0.250  0.686  0.433  1.0
  B  B27  1  0.750  0.314  0.567  1.0
  B  B28  1  0.750  0.834  0.668  1.0
  B  B29  1  0.250  0.166  0.332  1.0
  B  B30  1  0.250  0.666  0.168  1.0
  B  B31  1  0.750  0.334  0.832  1.0
  Mo  Mo32  1  0.750  0.118  0.473  1.0
  Mo  Mo33  1  0.250  0.882  0.527  1.0
  Mo  Mo34  1  0.250  0.382  0.973  1.0
  Mo  Mo35  1  0.750  0.618  0.027  1.0
  Mo  Mo36  1  0.750  0.660  0.564  1.0
  Mo  Mo37  1  0.250  0.340  0.436  1.0
  Mo  Mo38  1  0.250  0.840  0.064  1.0
  Mo  Mo39  1  0.750  0.160  0.936  1.0
  Mo  Mo40  1  0.750  0.684  0.798  1.0
  Mo  Mo41  1  0.250  0.316  0.202  1.0
  Mo  Mo42  1  0.250  0.816  0.298  1.0
  Mo  Mo43  1  0.750  0.184  0.702  1.0
[/CIF]
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The material described by ErMo3B7 crystallizes in the orthorhombic Pnma space group. Er(1) is bonded in a 12-coordinate geometry to one B(2), one B(4), two equivalent B(1), two equivalent B(3), two equivalent B(6), two equivalent B(7), and three equivalent B(5) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one B(1), one B(6), two equivalent B(4), two equivalent B(7), three equivalent B(2), and three equivalent B(3) atoms to form face-sharing MoB12 cuboctahedra. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one B(4), one B(7), two equivalent B(1), two equivalent B(6), and three equivalent B(5) atoms. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one B(3), one B(6), one B(7), two equivalent B(1), two equivalent B(2), and two equivalent B(4) atoms. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Mo(1), two equivalent Mo(2), two equivalent Mo(3), and two equivalent B(7) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Er(1), two equivalent Mo(3), three equivalent Mo(1), one B(4), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Mo(3), three equivalent Mo(1), one B(7), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Er(1), one Mo(2), two equivalent Mo(1), two equivalent Mo(3), one B(2), and two equivalent B(6) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to three equivalent Er(1), three equivalent Mo(2), one B(6), and two equivalent B(5) atoms. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Mo(1), one Mo(3), two equivalent Mo(2), one B(5), and two equivalent B(4) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Mo(2), one Mo(3), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ErB7Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.091
_cell_length_b   10.999
_cell_length_c   12.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   435.357
_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  0.750  0.552  0.308  1.0
  Er  Er1  1  0.250  0.448  0.692  1.0
  Er  Er2  1  0.250  0.948  0.808  1.0
  Er  Er3  1  0.750  0.052  0.192  1.0
  B  B4  1  0.750  0.751  0.174  1.0
  B  B5  1  0.250  0.249  0.826  1.0
  B  B6  1  0.250  0.749  0.674  1.0
  B  B7  1  0.750  0.251  0.326  1.0
  B  B8  1  0.750  0.932  0.384  1.0
  B  B9  1  0.250  0.068  0.616  1.0
  B  B10  1  0.250  0.568  0.884  1.0
  B  B11  1  0.750  0.432  0.116  1.0
  B  B12  1  0.750  0.989  0.638  1.0
  B  B13  1  0.250  0.011  0.362  1.0
  B  B14  1  0.250  0.511  0.138  1.0
  B  B15  1  0.750  0.489  0.862  1.0
  B  B16  1  0.750  0.769  0.418  1.0
  B  B17  1  0.250  0.231  0.582  1.0
  B  B18  1  0.250  0.731  0.918  1.0
  B  B19  1  0.750  0.269  0.082  1.0
  B  B20  1  0.750  0.963  0.982  1.0
  B  B21  1  0.250  0.037  0.018  1.0
  B  B22  1  0.250  0.537  0.482  1.0
  B  B23  1  0.750  0.463  0.518  1.0
  B  B24  1  0.750  0.814  0.933  1.0
  B  B25  1  0.250  0.186  0.067  1.0
  B  B26  1  0.250  0.686  0.433  1.0
  B  B27  1  0.750  0.314  0.567  1.0
  B  B28  1  0.750  0.834  0.668  1.0
  B  B29  1  0.250  0.166  0.332  1.0
  B  B30  1  0.250  0.666  0.168  1.0
  B  B31  1  0.750  0.334  0.832  1.0
  Mo  Mo32  1  0.750  0.118  0.473  1.0
  Mo  Mo33  1  0.250  0.882  0.527  1.0
  Mo  Mo34  1  0.250  0.382  0.973  1.0
  Mo  Mo35  1  0.750  0.618  0.027  1.0
  Mo  Mo36  1  0.750  0.660  0.564  1.0
  Mo  Mo37  1  0.250  0.340  0.436  1.0
  Mo  Mo38  1  0.250  0.840  0.064  1.0
  Mo  Mo39  1  0.750  0.160  0.936  1.0
  Mo  Mo40  1  0.750  0.684  0.798  1.0
  Mo  Mo41  1  0.250  0.316  0.202  1.0
  Mo  Mo42  1  0.250  0.816  0.298  1.0
  Mo  Mo43  1  0.750  0.184  0.702  1.0
[/CIF]
.