The material structure described by Sr3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded to eight equivalent Sr(1) and four equivalent Nd(1) atoms to form distorted SrSr8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Sr12 cuboctahedra, corners with fourteen equivalent Sr(1)Sr8Nd4 cuboctahedra, edges with six equivalent Nd(1)Sr12 cuboctahedra, edges with twelve equivalent Sr(1)Sr8Nd4 cuboctahedra, faces with four equivalent Nd(1)Sr12 cuboctahedra, and faces with sixteen equivalent Sr(1)Sr8Nd4 cuboctahedra. Nd(1) is bonded to twelve equivalent Sr(1) atoms to form NdSr12 cuboctahedra that share corners with six equivalent Nd(1)Sr12 cuboctahedra, corners with twelve equivalent Sr(1)Sr8Nd4 cuboctahedra, edges with eighteen equivalent Sr(1)Sr8Nd4 cuboctahedra, faces with eight equivalent Nd(1)Sr12 cuboctahedra, and faces with twelve equivalent Sr(1)Sr8Nd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.191
_cell_length_b   8.191
_cell_length_c   6.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   382.795
_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
  Sr  Sr0  1  0.828  0.172  0.750  1.0
  Sr  Sr1  1  0.344  0.172  0.750  1.0
  Sr  Sr2  1  0.828  0.656  0.750  1.0
  Sr  Sr3  1  0.172  0.828  0.250  1.0
  Sr  Sr4  1  0.656  0.828  0.250  1.0
  Sr  Sr5  1  0.172  0.344  0.250  1.0
  Nd  Nd6  1  0.667  0.333  0.250  1.0
  Nd  Nd7  1  0.333  0.667  0.750  1.0
[/CIF]
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The material structure described by Sr3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded to eight equivalent Sr(1) and four equivalent Nd(1) atoms to form distorted SrSr8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Sr12 cuboctahedra, corners with fourteen equivalent Sr(1)Sr8Nd4 cuboctahedra, edges with six equivalent Nd(1)Sr12 cuboctahedra, edges with twelve equivalent Sr(1)Sr8Nd4 cuboctahedra, faces with four equivalent Nd(1)Sr12 cuboctahedra, and faces with sixteen equivalent Sr(1)Sr8Nd4 cuboctahedra. Nd(1) is bonded to twelve equivalent Sr(1) atoms to form NdSr12 cuboctahedra that share corners with six equivalent Nd(1)Sr12 cuboctahedra, corners with twelve equivalent Sr(1)Sr8Nd4 cuboctahedra, edges with eighteen equivalent Sr(1)Sr8Nd4 cuboctahedra, faces with eight equivalent Nd(1)Sr12 cuboctahedra, and faces with twelve equivalent Sr(1)Sr8Nd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.191
_cell_length_b   8.191
_cell_length_c   6.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   382.795
_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
  Sr  Sr0  1  0.828  0.172  0.750  1.0
  Sr  Sr1  1  0.344  0.172  0.750  1.0
  Sr  Sr2  1  0.828  0.656  0.750  1.0
  Sr  Sr3  1  0.172  0.828  0.250  1.0
  Sr  Sr4  1  0.656  0.828  0.250  1.0
  Sr  Sr5  1  0.172  0.344  0.250  1.0
  Nd  Nd6  1  0.667  0.333  0.250  1.0
  Nd  Nd7  1  0.333  0.667  0.750  1.0
[/CIF]
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