The crystal structure described by NdAgAs2 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent Ag(1), four equivalent As(1), and four equivalent As(2) atoms. Ag(1) is bonded to four equivalent Nd(1), four equivalent Ag(1), and four equivalent As(1) atoms to form a mixture of distorted face and corner-sharing AgNd4Ag4As4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ag(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and two equivalent As(2) atoms. is represented by the CIF card [CIF]
data_NdAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.031
_cell_length_b   4.079
_cell_length_c   21.349
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.025
_cell_formula_units_Z   4
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  0.250  0.728  0.115  1.0
  Nd  Nd1  1  0.750  0.228  0.385  1.0
  Nd  Nd2  1  0.250  0.772  0.615  1.0
  Nd  Nd3  1  0.750  0.272  0.885  1.0
  Ag  Ag4  1  0.750  0.726  0.250  1.0
  Ag  Ag5  1  0.250  0.226  0.250  1.0
  Ag  Ag6  1  0.750  0.774  0.750  1.0
  Ag  Ag7  1  0.250  0.274  0.750  1.0
  As  As8  1  0.750  0.227  0.162  1.0
  As  As9  1  0.250  0.727  0.338  1.0
  As  As10  1  0.750  0.273  0.662  1.0
  As  As11  1  0.250  0.773  0.838  1.0
  As  As12  1  0.250  0.199  0.002  1.0
  As  As13  1  0.750  0.699  0.498  1.0
  As  As14  1  0.250  0.301  0.502  1.0
  As  As15  1  0.750  0.801  0.998  1.0
[/CIF]
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The crystal structure described by NdAgAs2 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent Ag(1), four equivalent As(1), and four equivalent As(2) atoms. Ag(1) is bonded to four equivalent Nd(1), four equivalent Ag(1), and four equivalent As(1) atoms to form a mixture of distorted face and corner-sharing AgNd4Ag4As4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ag(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and two equivalent As(2) atoms. is represented by the CIF card [CIF]
data_NdAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.031
_cell_length_b   4.079
_cell_length_c   21.349
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.025
_cell_formula_units_Z   4
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  0.250  0.728  0.115  1.0
  Nd  Nd1  1  0.750  0.228  0.385  1.0
  Nd  Nd2  1  0.250  0.772  0.615  1.0
  Nd  Nd3  1  0.750  0.272  0.885  1.0
  Ag  Ag4  1  0.750  0.726  0.250  1.0
  Ag  Ag5  1  0.250  0.226  0.250  1.0
  Ag  Ag6  1  0.750  0.774  0.750  1.0
  Ag  Ag7  1  0.250  0.274  0.750  1.0
  As  As8  1  0.750  0.227  0.162  1.0
  As  As9  1  0.250  0.727  0.338  1.0
  As  As10  1  0.750  0.273  0.662  1.0
  As  As11  1  0.250  0.773  0.838  1.0
  As  As12  1  0.250  0.199  0.002  1.0
  As  As13  1  0.750  0.699  0.498  1.0
  As  As14  1  0.250  0.301  0.502  1.0
  As  As15  1  0.750  0.801  0.998  1.0
[/CIF]
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