The material described by Pm3Nd is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Nd(1) atoms to form PmPm8Nd4 cuboctahedra that share corners with twelve equivalent Pm(1)Pm8Nd4 cuboctahedra, edges with eight equivalent Pm(1)Pm8Nd4 cuboctahedra, edges with eight equivalent Pm(2)Pm8Nd4 cuboctahedra, edges with eight equivalent Nd(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Pm8Nd4 cuboctahedra, faces with four equivalent Nd(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Pm8Nd4 cuboctahedra. In the second Pm site, Pm(2) is bonded to eight equivalent Pm(1) and four equivalent Nd(1) atoms to form PmPm8Nd4 cuboctahedra that share corners with four equivalent Pm(2)Pm8Nd4 cuboctahedra, corners with eight equivalent Nd(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Pm8Nd4 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Nd4 cuboctahedra, faces with four equivalent Pm(2)Pm8Nd4 cuboctahedra, faces with six equivalent Nd(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Nd4 cuboctahedra. Nd(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form NdPm12 cuboctahedra that share corners with four equivalent Nd(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Pm8Nd4 cuboctahedra, edges with eight equivalent Nd(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Nd4 cuboctahedra, faces with four equivalent Nd(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Pm8Nd4 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Nd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pm3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.340
_cell_length_b   6.340
_cell_length_c   6.340
_cell_angle_alpha   131.700
_cell_angle_beta   131.700
_cell_angle_gamma   70.704
_symmetry_Int_Tables_number   1
_cell_volume   139.195
_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
  Pm  Pm0  1  0.750  0.250  0.500  1.0
  Pm  Pm1  1  0.250  0.750  0.500  1.0
  Pm  Pm2  1  0.500  0.500  0.000  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Pm3Nd is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Nd(1) atoms to form PmPm8Nd4 cuboctahedra that share corners with twelve equivalent Pm(1)Pm8Nd4 cuboctahedra, edges with eight equivalent Pm(1)Pm8Nd4 cuboctahedra, edges with eight equivalent Pm(2)Pm8Nd4 cuboctahedra, edges with eight equivalent Nd(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Pm8Nd4 cuboctahedra, faces with four equivalent Nd(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Pm8Nd4 cuboctahedra. In the second Pm site, Pm(2) is bonded to eight equivalent Pm(1) and four equivalent Nd(1) atoms to form PmPm8Nd4 cuboctahedra that share corners with four equivalent Pm(2)Pm8Nd4 cuboctahedra, corners with eight equivalent Nd(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Pm8Nd4 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Nd4 cuboctahedra, faces with four equivalent Pm(2)Pm8Nd4 cuboctahedra, faces with six equivalent Nd(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Nd4 cuboctahedra. Nd(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form NdPm12 cuboctahedra that share corners with four equivalent Nd(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Pm8Nd4 cuboctahedra, edges with eight equivalent Nd(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Nd4 cuboctahedra, faces with four equivalent Nd(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Pm8Nd4 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Nd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pm3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.340
_cell_length_b   6.340
_cell_length_c   6.340
_cell_angle_alpha   131.700
_cell_angle_beta   131.700
_cell_angle_gamma   70.704
_symmetry_Int_Tables_number   1
_cell_volume   139.195
_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
  Pm  Pm0  1  0.750  0.250  0.500  1.0
  Pm  Pm1  1  0.250  0.750  0.500  1.0
  Pm  Pm2  1  0.500  0.500  0.000  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
[/CIF]
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