The material described by NdCo9Si4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. Nd(1) is bonded in a 24-coordinate geometry to eight equivalent Co(1), eight equivalent Co(2), and eight equivalent Si(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 11-coordinate geometry to two equivalent Nd(1), one Co(3), two equivalent Co(1), two equivalent Co(2), and four equivalent Si(1) atoms. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), one Co(3), two equivalent Co(1), three equivalent Co(2), and four equivalent Si(1) atoms. In the third Co site, Co(3) is bonded in a cuboctahedral geometry to four equivalent Co(1), four equivalent Co(2), and four equivalent Si(1) atoms. Si(1) is bonded in a 11-coordinate geometry to two equivalent Nd(1), one Co(3), four equivalent Co(1), and four equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdCo9Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.939
_cell_length_b   7.939
_cell_length_c   7.941
_cell_angle_alpha   122.076
_cell_angle_beta   122.076
_cell_angle_gamma   86.453
_symmetry_Int_Tables_number   1
_cell_volume   342.088
_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
  Nd  Nd0  1  0.750  0.750  1.000  1.0
  Nd  Nd1  1  0.250  0.250  0.000  1.0
  Co  Co2  1  0.692  0.448  0.500  1.0
  Co  Co3  1  0.448  0.948  0.756  1.0
  Co  Co4  1  0.192  0.692  0.244  1.0
  Co  Co5  1  0.552  0.052  0.244  1.0
  Co  Co6  1  0.948  0.192  0.500  1.0
  Co  Co7  1  0.197  0.932  0.129  1.0
  Co  Co8  1  0.803  0.068  0.871  1.0
  Co  Co9  1  0.432  0.697  0.129  1.0
  Co  Co10  1  0.568  0.303  0.871  1.0
  Co  Co11  1  0.697  0.568  0.264  1.0
  Co  Co12  1  0.303  0.432  0.736  1.0
  Co  Co13  1  0.932  0.803  0.736  1.0
  Co  Co14  1  0.308  0.552  0.500  1.0
  Co  Co15  1  0.808  0.308  0.756  1.0
  Co  Co16  1  1.000  0.500  0.500  1.0
  Co  Co17  1  0.500  0.000  0.500  1.0
  Co  Co18  1  0.068  0.197  0.264  1.0
  Co  Co19  1  0.052  0.808  0.500  1.0
  Si  Si20  1  0.292  0.792  0.835  1.0
  Si  Si21  1  0.043  0.543  0.835  1.0
  Si  Si22  1  0.543  0.708  0.500  1.0
  Si  Si23  1  0.792  0.957  0.500  1.0
  Si  Si24  1  0.457  0.292  0.500  1.0
  Si  Si25  1  0.957  0.457  0.165  1.0
  Si  Si26  1  0.708  0.208  0.165  1.0
  Si  Si27  1  0.208  0.043  0.500  1.0
[/CIF]
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The material described by NdCo9Si4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. Nd(1) is bonded in a 24-coordinate geometry to eight equivalent Co(1), eight equivalent Co(2), and eight equivalent Si(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 11-coordinate geometry to two equivalent Nd(1), one Co(3), two equivalent Co(1), two equivalent Co(2), and four equivalent Si(1) atoms. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), one Co(3), two equivalent Co(1), three equivalent Co(2), and four equivalent Si(1) atoms. In the third Co site, Co(3) is bonded in a cuboctahedral geometry to four equivalent Co(1), four equivalent Co(2), and four equivalent Si(1) atoms. Si(1) is bonded in a 11-coordinate geometry to two equivalent Nd(1), one Co(3), four equivalent Co(1), and four equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdCo9Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.939
_cell_length_b   7.939
_cell_length_c   7.941
_cell_angle_alpha   122.076
_cell_angle_beta   122.076
_cell_angle_gamma   86.453
_symmetry_Int_Tables_number   1
_cell_volume   342.088
_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
  Nd  Nd0  1  0.750  0.750  1.000  1.0
  Nd  Nd1  1  0.250  0.250  0.000  1.0
  Co  Co2  1  0.692  0.448  0.500  1.0
  Co  Co3  1  0.448  0.948  0.756  1.0
  Co  Co4  1  0.192  0.692  0.244  1.0
  Co  Co5  1  0.552  0.052  0.244  1.0
  Co  Co6  1  0.948  0.192  0.500  1.0
  Co  Co7  1  0.197  0.932  0.129  1.0
  Co  Co8  1  0.803  0.068  0.871  1.0
  Co  Co9  1  0.432  0.697  0.129  1.0
  Co  Co10  1  0.568  0.303  0.871  1.0
  Co  Co11  1  0.697  0.568  0.264  1.0
  Co  Co12  1  0.303  0.432  0.736  1.0
  Co  Co13  1  0.932  0.803  0.736  1.0
  Co  Co14  1  0.308  0.552  0.500  1.0
  Co  Co15  1  0.808  0.308  0.756  1.0
  Co  Co16  1  1.000  0.500  0.500  1.0
  Co  Co17  1  0.500  0.000  0.500  1.0
  Co  Co18  1  0.068  0.197  0.264  1.0
  Co  Co19  1  0.052  0.808  0.500  1.0
  Si  Si20  1  0.292  0.792  0.835  1.0
  Si  Si21  1  0.043  0.543  0.835  1.0
  Si  Si22  1  0.543  0.708  0.500  1.0
  Si  Si23  1  0.792  0.957  0.500  1.0
  Si  Si24  1  0.457  0.292  0.500  1.0
  Si  Si25  1  0.957  0.457  0.165  1.0
  Si  Si26  1  0.708  0.208  0.165  1.0
  Si  Si27  1  0.208  0.043  0.500  1.0
[/CIF]
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