The compound described by LaAgAs2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms. In the second La site, La(2) is bonded to two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted LaAg4As8 cuboctahedra that share corners with four equivalent La(2)Ag4As8 cuboctahedra, edges with four equivalent La(2)Ag4As8 cuboctahedra, edges with four equivalent Ag(1)La4Ag4As4 cuboctahedra, edges with four equivalent Ag(2)La4Ag4As4 cuboctahedra, faces with two equivalent Ag(1)La4Ag4As4 cuboctahedra, and faces with two equivalent Ag(2)La4Ag4As4 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent La(1), two equivalent La(2), two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted AgLa4Ag4As4 cuboctahedra that share corners with four equivalent Ag(1)La4Ag4As4 cuboctahedra, edges with four equivalent La(2)Ag4As8 cuboctahedra, faces with two equivalent La(2)Ag4As8 cuboctahedra, faces with two equivalent Ag(1)La4Ag4As4 cuboctahedra, and faces with six equivalent Ag(2)La4Ag4As4 cuboctahedra. In the second Ag site, Ag(2) is bonded to two equivalent La(1), two equivalent La(2), two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted AgLa4Ag4As4 cuboctahedra that share corners with four equivalent Ag(2)La4Ag4As4 cuboctahedra, edges with four equivalent La(2)Ag4As8 cuboctahedra, faces with two equivalent La(2)Ag4As8 cuboctahedra, faces with two equivalent Ag(2)La4Ag4As4 cuboctahedra, and faces with six equivalent Ag(1)La4Ag4As4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Ag(1), and two equivalent Ag(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Ag(1), and two equivalent Ag(2) atoms. In the third As site, As(3) is bonded in a distorted hexagonal planar geometry to two equivalent La(1), two equivalent La(2), and two equivalent As(3) atoms. is represented by the CIF file [CIF]
data_LaAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   5.906
_cell_length_c   21.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   745.654
_cell_formula_units_Z   8
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
  La  La0  1  0.750  0.514  0.886  1.0
  La  La1  1  0.250  0.486  0.114  1.0
  La  La2  1  0.250  0.514  0.614  1.0
  La  La3  1  0.750  0.486  0.386  1.0
  La  La4  1  0.750  0.016  0.619  1.0
  La  La5  1  0.250  0.984  0.381  1.0
  La  La6  1  0.250  0.016  0.881  1.0
  La  La7  1  0.750  0.984  0.119  1.0
  Ag  Ag8  1  0.000  0.235  0.250  1.0
  Ag  Ag9  1  0.500  0.765  0.750  1.0
  Ag  Ag10  1  0.000  0.765  0.750  1.0
  Ag  Ag11  1  0.500  0.235  0.250  1.0
  Ag  Ag12  1  0.000  0.732  0.250  1.0
  Ag  Ag13  1  0.500  0.268  0.750  1.0
  Ag  Ag14  1  0.000  0.268  0.750  1.0
  Ag  Ag15  1  0.500  0.732  0.250  1.0
  As  As16  1  0.750  0.517  0.663  1.0
  As  As17  1  0.250  0.483  0.337  1.0
  As  As18  1  0.250  0.517  0.837  1.0
  As  As19  1  0.750  0.483  0.163  1.0
  As  As20  1  0.750  0.016  0.836  1.0
  As  As21  1  0.250  0.984  0.164  1.0
  As  As22  1  0.250  0.016  0.664  1.0
  As  As23  1  0.750  0.984  0.336  1.0
  As  As24  1  0.031  0.218  0.499  1.0
  As  As25  1  0.531  0.782  0.501  1.0
  As  As26  1  0.969  0.218  0.001  1.0
  As  As27  1  0.469  0.782  0.999  1.0
  As  As28  1  0.969  0.782  0.501  1.0
  As  As29  1  0.469  0.218  0.499  1.0
  As  As30  1  0.031  0.782  0.999  1.0
  As  As31  1  0.531  0.218  0.001  1.0
[/CIF]
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The compound described by LaAgAs2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms. In the second La site, La(2) is bonded to two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted LaAg4As8 cuboctahedra that share corners with four equivalent La(2)Ag4As8 cuboctahedra, edges with four equivalent La(2)Ag4As8 cuboctahedra, edges with four equivalent Ag(1)La4Ag4As4 cuboctahedra, edges with four equivalent Ag(2)La4Ag4As4 cuboctahedra, faces with two equivalent Ag(1)La4Ag4As4 cuboctahedra, and faces with two equivalent Ag(2)La4Ag4As4 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent La(1), two equivalent La(2), two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted AgLa4Ag4As4 cuboctahedra that share corners with four equivalent Ag(1)La4Ag4As4 cuboctahedra, edges with four equivalent La(2)Ag4As8 cuboctahedra, faces with two equivalent La(2)Ag4As8 cuboctahedra, faces with two equivalent Ag(1)La4Ag4As4 cuboctahedra, and faces with six equivalent Ag(2)La4Ag4As4 cuboctahedra. In the second Ag site, Ag(2) is bonded to two equivalent La(1), two equivalent La(2), two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted AgLa4Ag4As4 cuboctahedra that share corners with four equivalent Ag(2)La4Ag4As4 cuboctahedra, edges with four equivalent La(2)Ag4As8 cuboctahedra, faces with two equivalent La(2)Ag4As8 cuboctahedra, faces with two equivalent Ag(2)La4Ag4As4 cuboctahedra, and faces with six equivalent Ag(1)La4Ag4As4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Ag(1), and two equivalent Ag(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Ag(1), and two equivalent Ag(2) atoms. In the third As site, As(3) is bonded in a distorted hexagonal planar geometry to two equivalent La(1), two equivalent La(2), and two equivalent As(3) atoms. is represented by the CIF file [CIF]
data_LaAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   5.906
_cell_length_c   21.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   745.654
_cell_formula_units_Z   8
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
  La  La0  1  0.750  0.514  0.886  1.0
  La  La1  1  0.250  0.486  0.114  1.0
  La  La2  1  0.250  0.514  0.614  1.0
  La  La3  1  0.750  0.486  0.386  1.0
  La  La4  1  0.750  0.016  0.619  1.0
  La  La5  1  0.250  0.984  0.381  1.0
  La  La6  1  0.250  0.016  0.881  1.0
  La  La7  1  0.750  0.984  0.119  1.0
  Ag  Ag8  1  0.000  0.235  0.250  1.0
  Ag  Ag9  1  0.500  0.765  0.750  1.0
  Ag  Ag10  1  0.000  0.765  0.750  1.0
  Ag  Ag11  1  0.500  0.235  0.250  1.0
  Ag  Ag12  1  0.000  0.732  0.250  1.0
  Ag  Ag13  1  0.500  0.268  0.750  1.0
  Ag  Ag14  1  0.000  0.268  0.750  1.0
  Ag  Ag15  1  0.500  0.732  0.250  1.0
  As  As16  1  0.750  0.517  0.663  1.0
  As  As17  1  0.250  0.483  0.337  1.0
  As  As18  1  0.250  0.517  0.837  1.0
  As  As19  1  0.750  0.483  0.163  1.0
  As  As20  1  0.750  0.016  0.836  1.0
  As  As21  1  0.250  0.984  0.164  1.0
  As  As22  1  0.250  0.016  0.664  1.0
  As  As23  1  0.750  0.984  0.336  1.0
  As  As24  1  0.031  0.218  0.499  1.0
  As  As25  1  0.531  0.782  0.501  1.0
  As  As26  1  0.969  0.218  0.001  1.0
  As  As27  1  0.469  0.782  0.999  1.0
  As  As28  1  0.969  0.782  0.501  1.0
  As  As29  1  0.469  0.218  0.499  1.0
  As  As30  1  0.031  0.782  0.999  1.0
  As  As31  1  0.531  0.218  0.001  1.0
[/CIF]
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