The material described by Sm(NiAs)2 crystallizes in the tetragonal I4/mmm space group. Sm(1) is bonded in a 16-coordinate geometry to eight equivalent Ni(1) and eight equivalent As(1) atoms. Ni(1) is bonded in a 4-coordinate geometry to four equivalent Sm(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to four equivalent Sm(1), four equivalent Ni(1), and one As(1) atom. is represented by the CIF file [CIF]
data_Sm(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   4.040
_cell_length_c   5.670
_cell_angle_alpha   110.870
_cell_angle_beta   110.870
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   79.943
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.250  0.750  0.500  1.0
  Ni  Ni2  1  0.750  0.250  0.500  1.0
  As  As3  1  0.366  0.366  0.733  1.0
  As  As4  1  0.634  0.634  0.267  1.0
[/CIF]
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The material described by Sm(NiAs)2 crystallizes in the tetragonal I4/mmm space group. Sm(1) is bonded in a 16-coordinate geometry to eight equivalent Ni(1) and eight equivalent As(1) atoms. Ni(1) is bonded in a 4-coordinate geometry to four equivalent Sm(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to four equivalent Sm(1), four equivalent Ni(1), and one As(1) atom. is represented by the CIF file [CIF]
data_Sm(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   4.040
_cell_length_c   5.670
_cell_angle_alpha   110.870
_cell_angle_beta   110.870
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   79.943
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.250  0.750  0.500  1.0
  Ni  Ni2  1  0.750  0.250  0.500  1.0
  As  As3  1  0.366  0.366  0.733  1.0
  As  As4  1  0.634  0.634  0.267  1.0
[/CIF]
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