The material described by NdY3(Co4B)4 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 6-coordinate geometry to six equivalent Co(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to six equivalent Co(4) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent B(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Co(3), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Co(4), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Co(1) atoms. In the fourth Co site, Co(4) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Co(2) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2), three equivalent Co(1), and three equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdY3(Co4B)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.049
_cell_length_b   5.049
_cell_length_c   13.669
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   301.722
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  Y  Y2  1  0.000  0.000  0.749  1.0
  Y  Y3  1  0.000  0.000  0.251  1.0
  Co  Co4  1  0.500  0.500  0.855  1.0
  Co  Co5  1  0.500  0.500  0.356  1.0
  Co  Co6  1  0.500  0.000  0.855  1.0
  Co  Co7  1  0.500  0.000  0.356  1.0
  Co  Co8  1  0.000  0.500  0.855  1.0
  Co  Co9  1  0.000  0.500  0.356  1.0
  Co  Co10  1  0.500  0.500  0.644  1.0
  Co  Co11  1  0.500  0.500  0.145  1.0
  Co  Co12  1  0.500  0.000  0.644  1.0
  Co  Co13  1  0.500  0.000  0.145  1.0
  Co  Co14  1  0.000  0.500  0.644  1.0
  Co  Co15  1  0.000  0.500  0.145  1.0
  Co  Co16  1  0.667  0.333  0.000  1.0
  Co  Co17  1  0.667  0.333  0.500  1.0
  Co  Co18  1  0.333  0.667  0.000  1.0
  Co  Co19  1  0.333  0.667  0.500  1.0
  B  B20  1  0.667  0.333  0.750  1.0
  B  B21  1  0.667  0.333  0.250  1.0
  B  B22  1  0.333  0.667  0.750  1.0
  B  B23  1  0.333  0.667  0.250  1.0
[/CIF]
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The material described by NdY3(Co4B)4 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 6-coordinate geometry to six equivalent Co(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to six equivalent Co(4) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent B(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Co(3), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Co(4), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Co(1) atoms. In the fourth Co site, Co(4) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Co(2) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2), three equivalent Co(1), and three equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdY3(Co4B)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.049
_cell_length_b   5.049
_cell_length_c   13.669
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   301.722
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  Y  Y2  1  0.000  0.000  0.749  1.0
  Y  Y3  1  0.000  0.000  0.251  1.0
  Co  Co4  1  0.500  0.500  0.855  1.0
  Co  Co5  1  0.500  0.500  0.356  1.0
  Co  Co6  1  0.500  0.000  0.855  1.0
  Co  Co7  1  0.500  0.000  0.356  1.0
  Co  Co8  1  0.000  0.500  0.855  1.0
  Co  Co9  1  0.000  0.500  0.356  1.0
  Co  Co10  1  0.500  0.500  0.644  1.0
  Co  Co11  1  0.500  0.500  0.145  1.0
  Co  Co12  1  0.500  0.000  0.644  1.0
  Co  Co13  1  0.500  0.000  0.145  1.0
  Co  Co14  1  0.000  0.500  0.644  1.0
  Co  Co15  1  0.000  0.500  0.145  1.0
  Co  Co16  1  0.667  0.333  0.000  1.0
  Co  Co17  1  0.667  0.333  0.500  1.0
  Co  Co18  1  0.333  0.667  0.000  1.0
  Co  Co19  1  0.333  0.667  0.500  1.0
  B  B20  1  0.667  0.333  0.750  1.0
  B  B21  1  0.667  0.333  0.250  1.0
  B  B22  1  0.333  0.667  0.750  1.0
  B  B23  1  0.333  0.667  0.250  1.0
[/CIF]
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