The structure described by Er3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 3-coordinate geometry to three equivalent Ru(1) atoms. In the second Er site, Er(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ru(1) atoms. Ru(1) is bonded in a 8-coordinate geometry to two equivalent Er(2) and six equivalent Er(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   7.272
_cell_length_c   9.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.788
_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  0.331  0.677  0.064  1.0
  Er  Er1  1  0.169  0.177  0.436  1.0
  Er  Er2  1  0.669  0.323  0.564  1.0
  Er  Er3  1  0.831  0.823  0.936  1.0
  Er  Er4  1  0.669  0.323  0.936  1.0
  Er  Er5  1  0.831  0.823  0.564  1.0
  Er  Er6  1  0.331  0.677  0.436  1.0
  Er  Er7  1  0.169  0.177  0.064  1.0
  Er  Er8  1  0.866  0.538  0.250  1.0
  Er  Er9  1  0.634  0.038  0.250  1.0
  Er  Er10  1  0.134  0.462  0.750  1.0
  Er  Er11  1  0.366  0.962  0.750  1.0
  Ru  Ru12  1  0.042  0.884  0.250  1.0
  Ru  Ru13  1  0.458  0.384  0.250  1.0
  Ru  Ru14  1  0.958  0.116  0.750  1.0
  Ru  Ru15  1  0.542  0.616  0.750  1.0
[/CIF]
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The structure described by Er3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 3-coordinate geometry to three equivalent Ru(1) atoms. In the second Er site, Er(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ru(1) atoms. Ru(1) is bonded in a 8-coordinate geometry to two equivalent Er(2) and six equivalent Er(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   7.272
_cell_length_c   9.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.788
_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  0.331  0.677  0.064  1.0
  Er  Er1  1  0.169  0.177  0.436  1.0
  Er  Er2  1  0.669  0.323  0.564  1.0
  Er  Er3  1  0.831  0.823  0.936  1.0
  Er  Er4  1  0.669  0.323  0.936  1.0
  Er  Er5  1  0.831  0.823  0.564  1.0
  Er  Er6  1  0.331  0.677  0.436  1.0
  Er  Er7  1  0.169  0.177  0.064  1.0
  Er  Er8  1  0.866  0.538  0.250  1.0
  Er  Er9  1  0.634  0.038  0.250  1.0
  Er  Er10  1  0.134  0.462  0.750  1.0
  Er  Er11  1  0.366  0.962  0.750  1.0
  Ru  Ru12  1  0.042  0.884  0.250  1.0
  Ru  Ru13  1  0.458  0.384  0.250  1.0
  Ru  Ru14  1  0.958  0.116  0.750  1.0
  Ru  Ru15  1  0.542  0.616  0.750  1.0
[/CIF]
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