The structure described by LaYC3 is Plutonium carbide-derived structured and crystallizes in the cubic I2_13 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent C(2) and six equivalent C(1) atoms. Y(1) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded to two equivalent La(1), two equivalent Y(1), and one C(1) atom to form distorted CLa2Y2C trigonal bipyramids that share corners with twelve equivalent C(1)La4Y2C pentagonal bipyramids, edges with three equivalent C(1)La4Y2C pentagonal bipyramids, and edges with four equivalent C(2)La2Y2C trigonal bipyramids. In the second C site, C(1) is bonded to four equivalent La(1), two equivalent Y(1), and one C(2) atom to form distorted CLa4Y2C pentagonal bipyramids that share corners with eight equivalent C(1)La4Y2C pentagonal bipyramids, corners with twelve equivalent C(2)La2Y2C trigonal bipyramids, edges with two equivalent C(1)La4Y2C pentagonal bipyramids, edges with three equivalent C(2)La2Y2C trigonal bipyramids, and faces with four equivalent C(1)La4Y2C pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaYC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   7.401
_cell_length_c   7.401
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   312.075
_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
  La  La0  1  0.893  0.893  0.893  1.0
  La  La1  1  0.607  0.500  0.000  1.0
  La  La2  1  0.000  0.607  0.500  1.0
  La  La3  1  0.500  0.000  0.607  1.0
  Y  Y4  1  0.101  0.500  0.000  1.0
  Y  Y5  1  0.399  0.399  0.399  1.0
  Y  Y6  1  0.000  0.101  0.500  1.0
  Y  Y7  1  0.500  0.000  0.101  1.0
  C  C8  1  0.750  0.446  0.696  1.0
  C  C9  1  0.250  0.054  0.804  1.0
  C  C10  1  0.250  0.211  0.961  1.0
  C  C11  1  0.750  0.289  0.539  1.0
  C  C12  1  0.054  0.804  0.250  1.0
  C  C13  1  0.446  0.696  0.750  1.0
  C  C14  1  0.289  0.539  0.750  1.0
  C  C15  1  0.211  0.961  0.250  1.0
  C  C16  1  0.696  0.750  0.446  1.0
  C  C17  1  0.804  0.250  0.054  1.0
  C  C18  1  0.961  0.250  0.211  1.0
  C  C19  1  0.539  0.750  0.289  1.0
[/CIF]
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The structure described by LaYC3 is Plutonium carbide-derived structured and crystallizes in the cubic I2_13 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent C(2) and six equivalent C(1) atoms. Y(1) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded to two equivalent La(1), two equivalent Y(1), and one C(1) atom to form distorted CLa2Y2C trigonal bipyramids that share corners with twelve equivalent C(1)La4Y2C pentagonal bipyramids, edges with three equivalent C(1)La4Y2C pentagonal bipyramids, and edges with four equivalent C(2)La2Y2C trigonal bipyramids. In the second C site, C(1) is bonded to four equivalent La(1), two equivalent Y(1), and one C(2) atom to form distorted CLa4Y2C pentagonal bipyramids that share corners with eight equivalent C(1)La4Y2C pentagonal bipyramids, corners with twelve equivalent C(2)La2Y2C trigonal bipyramids, edges with two equivalent C(1)La4Y2C pentagonal bipyramids, edges with three equivalent C(2)La2Y2C trigonal bipyramids, and faces with four equivalent C(1)La4Y2C pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaYC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   7.401
_cell_length_c   7.401
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   312.075
_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
  La  La0  1  0.893  0.893  0.893  1.0
  La  La1  1  0.607  0.500  0.000  1.0
  La  La2  1  0.000  0.607  0.500  1.0
  La  La3  1  0.500  0.000  0.607  1.0
  Y  Y4  1  0.101  0.500  0.000  1.0
  Y  Y5  1  0.399  0.399  0.399  1.0
  Y  Y6  1  0.000  0.101  0.500  1.0
  Y  Y7  1  0.500  0.000  0.101  1.0
  C  C8  1  0.750  0.446  0.696  1.0
  C  C9  1  0.250  0.054  0.804  1.0
  C  C10  1  0.250  0.211  0.961  1.0
  C  C11  1  0.750  0.289  0.539  1.0
  C  C12  1  0.054  0.804  0.250  1.0
  C  C13  1  0.446  0.696  0.750  1.0
  C  C14  1  0.289  0.539  0.750  1.0
  C  C15  1  0.211  0.961  0.250  1.0
  C  C16  1  0.696  0.750  0.446  1.0
  C  C17  1  0.804  0.250  0.054  1.0
  C  C18  1  0.961  0.250  0.211  1.0
  C  C19  1  0.539  0.750  0.289  1.0
[/CIF]
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