The compound described by Er5Ga2As crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(3), two equivalent Ga(2), and two equivalent As(1) atoms. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to one Ga(1), two equivalent Ga(2), and two equivalent As(1) atoms. In the third Er site, Er(3) is bonded in a 3-coordinate geometry to one Ga(1), two equivalent Ga(3), and two equivalent As(1) atoms. In the fourth Er site, Er(4) is bonded in a 5-coordinate geometry to one Ga(3), two equivalent Ga(2), and two equivalent As(1) atoms. In the fifth Er site, Er(5) is bonded in a 3-coordinate geometry to one Ga(3), two equivalent Ga(1), and two equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Er(3), two equivalent Er(2), two equivalent Er(5), and four equivalent Er(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Er(5), two equivalent Er(2), two equivalent Er(4), and four equivalent Er(1) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to one Er(5), two equivalent Er(3), two equivalent Er(4), and four equivalent Er(1) atoms. As(1) is bonded in a 9-coordinate geometry to one Er(3), two equivalent Er(2), two equivalent Er(4), and four equivalent Er(1) atoms. is represented by the CIF file [CIF]
data_Er5Ga2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.442
_cell_length_b   8.442
_cell_length_c   6.429
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.924
_symmetry_Int_Tables_number   1
_cell_volume   397.085
_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  0.666  0.332  0.246  1.0
  Er  Er1  1  0.332  0.666  0.246  1.0
  Er  Er2  1  0.332  0.666  0.754  1.0
  Er  Er3  1  0.666  0.332  0.754  1.0
  Er  Er4  1  0.244  0.004  0.500  1.0
  Er  Er5  1  0.004  0.244  0.500  1.0
  Er  Er6  1  0.756  0.756  0.500  1.0
  Er  Er7  1  0.759  1.000  0.000  1.0
  Er  Er8  1  1.000  0.759  0.000  1.0
  Er  Er9  1  0.241  0.241  0.000  1.0
  Ga  Ga10  1  0.399  0.399  0.500  1.0
  Ga  Ga11  1  0.396  0.998  0.000  1.0
  Ga  Ga12  1  0.998  0.396  0.000  1.0
  Ga  Ga13  1  0.601  0.601  0.000  1.0
  As  As14  1  0.608  1.000  0.500  1.0
  As  As15  1  1.000  0.608  0.500  1.0
[/CIF]
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The compound described by Er5Ga2As crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(3), two equivalent Ga(2), and two equivalent As(1) atoms. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to one Ga(1), two equivalent Ga(2), and two equivalent As(1) atoms. In the third Er site, Er(3) is bonded in a 3-coordinate geometry to one Ga(1), two equivalent Ga(3), and two equivalent As(1) atoms. In the fourth Er site, Er(4) is bonded in a 5-coordinate geometry to one Ga(3), two equivalent Ga(2), and two equivalent As(1) atoms. In the fifth Er site, Er(5) is bonded in a 3-coordinate geometry to one Ga(3), two equivalent Ga(1), and two equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Er(3), two equivalent Er(2), two equivalent Er(5), and four equivalent Er(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Er(5), two equivalent Er(2), two equivalent Er(4), and four equivalent Er(1) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to one Er(5), two equivalent Er(3), two equivalent Er(4), and four equivalent Er(1) atoms. As(1) is bonded in a 9-coordinate geometry to one Er(3), two equivalent Er(2), two equivalent Er(4), and four equivalent Er(1) atoms. is represented by the CIF file [CIF]
data_Er5Ga2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.442
_cell_length_b   8.442
_cell_length_c   6.429
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.924
_symmetry_Int_Tables_number   1
_cell_volume   397.085
_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  0.666  0.332  0.246  1.0
  Er  Er1  1  0.332  0.666  0.246  1.0
  Er  Er2  1  0.332  0.666  0.754  1.0
  Er  Er3  1  0.666  0.332  0.754  1.0
  Er  Er4  1  0.244  0.004  0.500  1.0
  Er  Er5  1  0.004  0.244  0.500  1.0
  Er  Er6  1  0.756  0.756  0.500  1.0
  Er  Er7  1  0.759  1.000  0.000  1.0
  Er  Er8  1  1.000  0.759  0.000  1.0
  Er  Er9  1  0.241  0.241  0.000  1.0
  Ga  Ga10  1  0.399  0.399  0.500  1.0
  Ga  Ga11  1  0.396  0.998  0.000  1.0
  Ga  Ga12  1  0.998  0.396  0.000  1.0
  Ga  Ga13  1  0.601  0.601  0.000  1.0
  As  As14  1  0.608  1.000  0.500  1.0
  As  As15  1  1.000  0.608  0.500  1.0
[/CIF]
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