The crystal structure described by La4C5Cl2 crystallizes in the triclinic P-1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one C(3), one C(5), two equivalent C(1), two equivalent C(4), and two equivalent Cl(2) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent C(5), three equivalent C(2), one Cl(2), and two equivalent Cl(1) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one C(1), four equivalent C(3), one Cl(2), and two equivalent Cl(1) atoms. In the fourth La site, La(4) is bonded in a 10-coordinate geometry to two equivalent C(1), two equivalent C(2), two equivalent C(5), three equivalent C(4), and one Cl(1) atom. There are five inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one La(3), two equivalent La(1), two equivalent La(4), and one C(4) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent La(4), three equivalent La(2), and one C(5) atom. In the third C site, C(3) is bonded in a 6-coordinate geometry to one La(1), four equivalent La(3), and one C(3) atom. In the fourth C site, C(4) is bonded to two equivalent La(1), three equivalent La(4), and one C(1) atom to form distorted CLa5C octahedra that share corners with two equivalent C(5)La5C octahedra, corners with three equivalent Cl(1)La5 square pyramids, edges with three equivalent C(5)La5C octahedra, and edges with four equivalent C(4)La5C octahedra. The corner-sharing octahedral tilt angles are 21°. In the fifth C site, C(5) is bonded to one La(1), two equivalent La(2), two equivalent La(4), and one C(2) atom to form distorted CLa5C octahedra that share corners with two equivalent C(4)La5C octahedra, corners with four equivalent Cl(1)La5 square pyramids, edges with two equivalent C(5)La5C octahedra, edges with three equivalent C(4)La5C octahedra, and  an edgeedge with one Cl(1)La5 square pyramid. The corner-sharing octahedral tilt angles are 21°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one La(4), two equivalent La(2), and two equivalent La(3) atoms to form distorted ClLa5 square pyramids that share corners with three equivalent C(4)La5C octahedra, corners with four equivalent C(5)La5C octahedra,  an edgeedge with one C(5)La5C octahedra, and edges with two equivalent Cl(1)La5 square pyramids. The corner-sharing octahedral tilt angles range from 3-80°. In the second Cl site, Cl(2) is bonded in a rectangular see-saw-like geometry to one La(2), one La(3), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La4C5Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.987
_cell_length_b   10.190
_cell_length_c   11.477
_cell_angle_alpha   95.851
_cell_angle_beta   99.879
_cell_angle_gamma   89.970
_symmetry_Int_Tables_number   1
_cell_volume   456.951
_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
  La  La0  1  0.623  0.352  0.234  1.0
  La  La1  1  0.176  0.025  0.350  1.0
  La  La2  1  0.048  0.650  0.091  1.0
  La  La3  1  0.274  0.334  0.549  1.0
  La  La4  1  0.726  0.666  0.451  1.0
  La  La5  1  0.377  0.648  0.766  1.0
  La  La6  1  0.952  0.350  0.909  1.0
  La  La7  1  0.824  0.975  0.650  1.0
  C  C8  1  0.855  0.453  0.712  1.0
  C  C9  1  0.747  0.131  0.497  1.0
  C  C10  1  0.475  0.534  0.953  1.0
  C  C11  1  0.525  0.466  0.047  1.0
  C  C12  1  0.807  0.523  0.621  1.0
  C  C13  1  0.253  0.869  0.503  1.0
  C  C14  1  0.193  0.477  0.379  1.0
  C  C15  1  0.145  0.547  0.288  1.0
  C  C16  1  0.703  0.204  0.406  1.0
  C  C17  1  0.297  0.796  0.594  1.0
  Cl  Cl18  1  0.608  0.850  0.204  1.0
  Cl  Cl19  1  0.392  0.150  0.796  1.0
  Cl  Cl20  1  0.934  0.837  0.885  1.0
  Cl  Cl21  1  0.066  0.163  0.115  1.0
[/CIF]
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The crystal structure described by La4C5Cl2 crystallizes in the triclinic P-1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one C(3), one C(5), two equivalent C(1), two equivalent C(4), and two equivalent Cl(2) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent C(5), three equivalent C(2), one Cl(2), and two equivalent Cl(1) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one C(1), four equivalent C(3), one Cl(2), and two equivalent Cl(1) atoms. In the fourth La site, La(4) is bonded in a 10-coordinate geometry to two equivalent C(1), two equivalent C(2), two equivalent C(5), three equivalent C(4), and one Cl(1) atom. There are five inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one La(3), two equivalent La(1), two equivalent La(4), and one C(4) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent La(4), three equivalent La(2), and one C(5) atom. In the third C site, C(3) is bonded in a 6-coordinate geometry to one La(1), four equivalent La(3), and one C(3) atom. In the fourth C site, C(4) is bonded to two equivalent La(1), three equivalent La(4), and one C(1) atom to form distorted CLa5C octahedra that share corners with two equivalent C(5)La5C octahedra, corners with three equivalent Cl(1)La5 square pyramids, edges with three equivalent C(5)La5C octahedra, and edges with four equivalent C(4)La5C octahedra. The corner-sharing octahedral tilt angles are 21°. In the fifth C site, C(5) is bonded to one La(1), two equivalent La(2), two equivalent La(4), and one C(2) atom to form distorted CLa5C octahedra that share corners with two equivalent C(4)La5C octahedra, corners with four equivalent Cl(1)La5 square pyramids, edges with two equivalent C(5)La5C octahedra, edges with three equivalent C(4)La5C octahedra, and  an edgeedge with one Cl(1)La5 square pyramid. The corner-sharing octahedral tilt angles are 21°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one La(4), two equivalent La(2), and two equivalent La(3) atoms to form distorted ClLa5 square pyramids that share corners with three equivalent C(4)La5C octahedra, corners with four equivalent C(5)La5C octahedra,  an edgeedge with one C(5)La5C octahedra, and edges with two equivalent Cl(1)La5 square pyramids. The corner-sharing octahedral tilt angles range from 3-80°. In the second Cl site, Cl(2) is bonded in a rectangular see-saw-like geometry to one La(2), one La(3), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La4C5Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.987
_cell_length_b   10.190
_cell_length_c   11.477
_cell_angle_alpha   95.851
_cell_angle_beta   99.879
_cell_angle_gamma   89.970
_symmetry_Int_Tables_number   1
_cell_volume   456.951
_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
  La  La0  1  0.623  0.352  0.234  1.0
  La  La1  1  0.176  0.025  0.350  1.0
  La  La2  1  0.048  0.650  0.091  1.0
  La  La3  1  0.274  0.334  0.549  1.0
  La  La4  1  0.726  0.666  0.451  1.0
  La  La5  1  0.377  0.648  0.766  1.0
  La  La6  1  0.952  0.350  0.909  1.0
  La  La7  1  0.824  0.975  0.650  1.0
  C  C8  1  0.855  0.453  0.712  1.0
  C  C9  1  0.747  0.131  0.497  1.0
  C  C10  1  0.475  0.534  0.953  1.0
  C  C11  1  0.525  0.466  0.047  1.0
  C  C12  1  0.807  0.523  0.621  1.0
  C  C13  1  0.253  0.869  0.503  1.0
  C  C14  1  0.193  0.477  0.379  1.0
  C  C15  1  0.145  0.547  0.288  1.0
  C  C16  1  0.703  0.204  0.406  1.0
  C  C17  1  0.297  0.796  0.594  1.0
  Cl  Cl18  1  0.608  0.850  0.204  1.0
  Cl  Cl19  1  0.392  0.150  0.796  1.0
  Cl  Cl20  1  0.934  0.837  0.885  1.0
  Cl  Cl21  1  0.066  0.163  0.115  1.0
[/CIF]
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