The compound described by La2AlGe3 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent Al(1), two equivalent Ge(3), four equivalent Ge(1), and four equivalent Ge(2) atoms to form LaAl2Ge10 cuboctahedra that share edges with four equivalent La(1)Al2Ge10 cuboctahedra, edges with eight equivalent La(2)Al4Ge8 cuboctahedra, faces with four equivalent La(1)Al2Ge10 cuboctahedra, and faces with four equivalent La(2)Al4Ge8 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Al(1), two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(3) atoms to form LaAl4Ge8 cuboctahedra that share edges with four equivalent La(2)Al4Ge8 cuboctahedra, edges with eight equivalent La(1)Al2Ge10 cuboctahedra, faces with four equivalent La(1)Al2Ge10 cuboctahedra, and faces with four equivalent La(2)Al4Ge8 cuboctahedra. Al(1) is bonded in a distorted trigonal planar geometry to two equivalent La(1), four equivalent La(2), one Ge(3), and two equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Ge(2), and two equivalent Ge(3) atoms. In the second Ge site, Ge(2) is bonded in a distorted bent 120 degrees geometry to two equivalent La(2), four equivalent La(1), two equivalent Al(1), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Al(1), and two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_La2AlGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.106
_cell_length_b   8.106
_cell_length_c   8.106
_cell_angle_alpha   149.039
_cell_angle_beta   148.092
_cell_angle_gamma   45.056
_symmetry_Int_Tables_number   1
_cell_volume   144.371
_cell_formula_units_Z   1
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
  La  La0  1  0.622  0.622  0.000  1.0
  La  La1  1  0.878  0.378  0.500  1.0
  Al  Al2  1  0.292  0.792  0.500  1.0
  Ge  Ge3  1  0.041  0.041  0.000  1.0
  Ge  Ge4  1  0.210  0.210  0.000  1.0
  Ge  Ge5  1  0.458  0.958  0.500  1.0
[/CIF]
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The compound described by La2AlGe3 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent Al(1), two equivalent Ge(3), four equivalent Ge(1), and four equivalent Ge(2) atoms to form LaAl2Ge10 cuboctahedra that share edges with four equivalent La(1)Al2Ge10 cuboctahedra, edges with eight equivalent La(2)Al4Ge8 cuboctahedra, faces with four equivalent La(1)Al2Ge10 cuboctahedra, and faces with four equivalent La(2)Al4Ge8 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Al(1), two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(3) atoms to form LaAl4Ge8 cuboctahedra that share edges with four equivalent La(2)Al4Ge8 cuboctahedra, edges with eight equivalent La(1)Al2Ge10 cuboctahedra, faces with four equivalent La(1)Al2Ge10 cuboctahedra, and faces with four equivalent La(2)Al4Ge8 cuboctahedra. Al(1) is bonded in a distorted trigonal planar geometry to two equivalent La(1), four equivalent La(2), one Ge(3), and two equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Ge(2), and two equivalent Ge(3) atoms. In the second Ge site, Ge(2) is bonded in a distorted bent 120 degrees geometry to two equivalent La(2), four equivalent La(1), two equivalent Al(1), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Al(1), and two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_La2AlGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.106
_cell_length_b   8.106
_cell_length_c   8.106
_cell_angle_alpha   149.039
_cell_angle_beta   148.092
_cell_angle_gamma   45.056
_symmetry_Int_Tables_number   1
_cell_volume   144.371
_cell_formula_units_Z   1
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
  La  La0  1  0.622  0.622  0.000  1.0
  La  La1  1  0.878  0.378  0.500  1.0
  Al  Al2  1  0.292  0.792  0.500  1.0
  Ge  Ge3  1  0.041  0.041  0.000  1.0
  Ge  Ge4  1  0.210  0.210  0.000  1.0
  Ge  Ge5  1  0.458  0.958  0.500  1.0
[/CIF]
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