The material structure described by La4GaSi3 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to two equivalent Ga(1), one Si(1), and four equivalent Si(3) atoms. In the third La site, La(3) is bonded in a 7-coordinate geometry to four equivalent Ga(1), one Si(2), and two equivalent Si(3) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(2), and four equivalent Si(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to one La(1), two equivalent La(2), four equivalent La(3), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one La(2), two equivalent La(1), four equivalent La(4), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one La(3), two equivalent La(4), four equivalent La(1), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one La(4), two equivalent La(3), four equivalent La(2), and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4GaSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.074
_cell_length_b   4.549
_cell_length_c   11.423
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.719
_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  0.000  0.000  0.360  1.0
  La  La1  1  0.000  0.500  0.856  1.0
  La  La2  1  0.500  0.500  0.143  1.0
  La  La3  1  0.500  0.000  0.643  1.0
  Ga  Ga4  1  0.000  0.000  0.066  1.0
  Si  Si5  1  0.000  0.500  0.566  1.0
  Si  Si6  1  0.500  0.500  0.435  1.0
  Si  Si7  1  0.500  0.000  0.932  1.0
[/CIF]
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The material structure described by La4GaSi3 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to two equivalent Ga(1), one Si(1), and four equivalent Si(3) atoms. In the third La site, La(3) is bonded in a 7-coordinate geometry to four equivalent Ga(1), one Si(2), and two equivalent Si(3) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(2), and four equivalent Si(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to one La(1), two equivalent La(2), four equivalent La(3), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one La(2), two equivalent La(1), four equivalent La(4), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one La(3), two equivalent La(4), four equivalent La(1), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one La(4), two equivalent La(3), four equivalent La(2), and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4GaSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.074
_cell_length_b   4.549
_cell_length_c   11.423
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.719
_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  0.000  0.000  0.360  1.0
  La  La1  1  0.000  0.500  0.856  1.0
  La  La2  1  0.500  0.500  0.143  1.0
  La  La3  1  0.500  0.000  0.643  1.0
  Ga  Ga4  1  0.000  0.000  0.066  1.0
  Si  Si5  1  0.000  0.500  0.566  1.0
  Si  Si6  1  0.500  0.500  0.435  1.0
  Si  Si7  1  0.500  0.000  0.932  1.0
[/CIF]
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