The material described by Nd2AgSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Ag(1), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms to form NdSi10Ag2 cuboctahedra that share edges with four equivalent Nd(1)Si10Ag2 cuboctahedra, edges with eight equivalent Nd(2)Si8Ag4 cuboctahedra, faces with four equivalent Nd(1)Si10Ag2 cuboctahedra, and faces with four equivalent Nd(2)Si8Ag4 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent Ag(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form NdSi8Ag4 cuboctahedra that share edges with four equivalent Nd(2)Si8Ag4 cuboctahedra, edges with eight equivalent Nd(1)Si10Ag2 cuboctahedra, faces with four equivalent Nd(1)Si10Ag2 cuboctahedra, and faces with four equivalent Nd(2)Si8Ag4 cuboctahedra. Ag(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Si(3), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Si(2), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ag(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ag(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Nd2Si3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.111
_cell_length_b   4.326
_cell_length_c   7.795
_cell_angle_alpha   73.886
_cell_angle_beta   74.749
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   128.082
_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  0.868  0.618  0.264  1.0
  Nd  Nd1  1  0.132  0.382  0.736  1.0
  Si  Si2  1  0.294  0.045  0.411  1.0
  Si  Si3  1  0.457  0.207  0.086  1.0
  Si  Si4  1  0.710  0.959  0.581  1.0
  Ag  Ag5  1  0.539  0.789  0.922  1.0
[/CIF]
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The material described by Nd2AgSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Ag(1), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms to form NdSi10Ag2 cuboctahedra that share edges with four equivalent Nd(1)Si10Ag2 cuboctahedra, edges with eight equivalent Nd(2)Si8Ag4 cuboctahedra, faces with four equivalent Nd(1)Si10Ag2 cuboctahedra, and faces with four equivalent Nd(2)Si8Ag4 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent Ag(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form NdSi8Ag4 cuboctahedra that share edges with four equivalent Nd(2)Si8Ag4 cuboctahedra, edges with eight equivalent Nd(1)Si10Ag2 cuboctahedra, faces with four equivalent Nd(1)Si10Ag2 cuboctahedra, and faces with four equivalent Nd(2)Si8Ag4 cuboctahedra. Ag(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Si(3), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Si(2), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ag(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ag(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Nd2Si3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.111
_cell_length_b   4.326
_cell_length_c   7.795
_cell_angle_alpha   73.886
_cell_angle_beta   74.749
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   128.082
_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  0.868  0.618  0.264  1.0
  Nd  Nd1  1  0.132  0.382  0.736  1.0
  Si  Si2  1  0.294  0.045  0.411  1.0
  Si  Si3  1  0.457  0.207  0.086  1.0
  Si  Si4  1  0.710  0.959  0.581  1.0
  Ag  Ag5  1  0.539  0.789  0.922  1.0
[/CIF]
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