The material described by Er3FeB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 11-coordinate geometry to two equivalent B(2), two equivalent B(4), three equivalent B(1), and four equivalent B(3) atoms. In the second Er site, Er(2) is bonded in a 10-coordinate geometry to four equivalent B(2) and six equivalent B(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent B(4), four equivalent B(2), 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 three equivalent Er(1), three equivalent Er(2), one B(2), and two equivalent B(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Fe(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 four equivalent Er(1), two equivalent Fe(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to four equivalent Er(1), two equivalent Fe(1), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Er3FeB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.965
_cell_length_b   7.965
_cell_length_c   9.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   155.366
_symmetry_Int_Tables_number   1
_cell_volume   244.433
_cell_formula_units_Z   2
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  0.895  0.105  0.440  1.0
  Er  Er1  1  0.105  0.895  0.560  1.0
  Er  Er2  1  0.895  0.105  0.060  1.0
  Er  Er3  1  0.105  0.895  0.940  1.0
  Er  Er4  1  0.244  0.756  0.250  1.0
  Er  Er5  1  0.756  0.244  0.750  1.0
  Fe  Fe6  1  0.054  0.946  0.250  1.0
  Fe  Fe7  1  0.946  0.054  0.750  1.0
  B  B8  1  0.727  0.273  0.467  1.0
  B  B9  1  0.273  0.727  0.533  1.0
  B  B10  1  0.727  0.273  0.033  1.0
  B  B11  1  0.273  0.727  0.967  1.0
  B  B12  1  0.630  0.370  0.153  1.0
  B  B13  1  0.370  0.630  0.847  1.0
  B  B14  1  0.630  0.370  0.347  1.0
  B  B15  1  0.370  0.630  0.653  1.0
  B  B16  1  0.521  0.479  0.098  1.0
  B  B17  1  0.479  0.521  0.902  1.0
  B  B18  1  0.521  0.479  0.402  1.0
  B  B19  1  0.479  0.521  0.598  1.0
  B  B20  1  0.458  0.542  0.250  1.0
  B  B21  1  0.542  0.458  0.750  1.0
[/CIF]
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The material described by Er3FeB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 11-coordinate geometry to two equivalent B(2), two equivalent B(4), three equivalent B(1), and four equivalent B(3) atoms. In the second Er site, Er(2) is bonded in a 10-coordinate geometry to four equivalent B(2) and six equivalent B(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent B(4), four equivalent B(2), 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 three equivalent Er(1), three equivalent Er(2), one B(2), and two equivalent B(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Fe(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 four equivalent Er(1), two equivalent Fe(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to four equivalent Er(1), two equivalent Fe(1), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Er3FeB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.965
_cell_length_b   7.965
_cell_length_c   9.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   155.366
_symmetry_Int_Tables_number   1
_cell_volume   244.433
_cell_formula_units_Z   2
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  0.895  0.105  0.440  1.0
  Er  Er1  1  0.105  0.895  0.560  1.0
  Er  Er2  1  0.895  0.105  0.060  1.0
  Er  Er3  1  0.105  0.895  0.940  1.0
  Er  Er4  1  0.244  0.756  0.250  1.0
  Er  Er5  1  0.756  0.244  0.750  1.0
  Fe  Fe6  1  0.054  0.946  0.250  1.0
  Fe  Fe7  1  0.946  0.054  0.750  1.0
  B  B8  1  0.727  0.273  0.467  1.0
  B  B9  1  0.273  0.727  0.533  1.0
  B  B10  1  0.727  0.273  0.033  1.0
  B  B11  1  0.273  0.727  0.967  1.0
  B  B12  1  0.630  0.370  0.153  1.0
  B  B13  1  0.370  0.630  0.847  1.0
  B  B14  1  0.630  0.370  0.347  1.0
  B  B15  1  0.370  0.630  0.653  1.0
  B  B16  1  0.521  0.479  0.098  1.0
  B  B17  1  0.479  0.521  0.902  1.0
  B  B18  1  0.521  0.479  0.402  1.0
  B  B19  1  0.479  0.521  0.598  1.0
  B  B20  1  0.458  0.542  0.250  1.0
  B  B21  1  0.542  0.458  0.750  1.0
[/CIF]
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