The material structure described by CaPdAs crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Pd(2), one Pd(4), two equivalent Pd(1), two equivalent Pd(3), one As(2), one As(3), two equivalent As(1), and two equivalent As(4) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(4), one As(3), one As(4), and two equivalent As(2) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one As(3), and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one As(1), one As(2), and one As(3) atom. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one As(2), and two equivalent As(4) atoms. In the fourth Pd site, Pd(4) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one As(2), one As(3), and one As(4) atom. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to four equivalent Ca(1), one Pd(2), and two equivalent Pd(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one Pd(2), one Pd(3), and one Pd(4) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Pd(1), one Pd(2), and one Pd(4) atom. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one Pd(4), and two equivalent Pd(3) atoms. is represented by the CIF card [CIF]
data_CaAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.160
_cell_length_b   8.672
_cell_length_c   16.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1036.533
_cell_formula_units_Z   16
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
  Ca  Ca0  1  0.766  0.008  0.188  1.0
  Ca  Ca1  1  0.266  0.492  0.312  1.0
  Ca  Ca2  1  0.234  0.508  0.812  1.0
  Ca  Ca3  1  0.734  0.992  0.688  1.0
  Ca  Ca4  1  0.234  0.992  0.812  1.0
  Ca  Ca5  1  0.734  0.508  0.688  1.0
  Ca  Ca6  1  0.766  0.492  0.188  1.0
  Ca  Ca7  1  0.266  0.008  0.312  1.0
  Ca  Ca8  1  0.252  0.021  0.061  1.0
  Ca  Ca9  1  0.752  0.479  0.439  1.0
  Ca  Ca10  1  0.748  0.521  0.939  1.0
  Ca  Ca11  1  0.248  0.979  0.561  1.0
  Ca  Ca12  1  0.748  0.979  0.939  1.0
  Ca  Ca13  1  0.248  0.521  0.561  1.0
  Ca  Ca14  1  0.252  0.479  0.061  1.0
  Ca  Ca15  1  0.752  0.021  0.439  1.0
  As  As16  1  0.571  0.750  0.290  1.0
  As  As17  1  0.929  0.250  0.790  1.0
  As  As18  1  0.429  0.250  0.710  1.0
  As  As19  1  0.577  0.750  0.571  1.0
  As  As20  1  0.077  0.750  0.929  1.0
  As  As21  1  0.423  0.250  0.429  1.0
  As  As22  1  0.923  0.250  0.071  1.0
  As  As23  1  0.641  0.750  0.067  1.0
  As  As24  1  0.071  0.750  0.210  1.0
  As  As25  1  0.141  0.750  0.433  1.0
  As  As26  1  0.359  0.250  0.933  1.0
  As  As27  1  0.859  0.250  0.567  1.0
  As  As28  1  0.051  0.750  0.678  1.0
  As  As29  1  0.551  0.750  0.822  1.0
  As  As30  1  0.949  0.250  0.322  1.0
  As  As31  1  0.449  0.250  0.178  1.0
  Pd  Pd32  1  0.394  0.750  0.167  1.0
  Pd  Pd33  1  0.894  0.750  0.333  1.0
  Pd  Pd34  1  0.606  0.250  0.833  1.0
  Pd  Pd35  1  0.106  0.250  0.667  1.0
  Pd  Pd36  1  0.984  0.750  0.071  1.0
  Pd  Pd37  1  0.484  0.750  0.429  1.0
  Pd  Pd38  1  0.016  0.250  0.929  1.0
  Pd  Pd39  1  0.392  0.750  0.692  1.0
  Pd  Pd40  1  0.892  0.750  0.808  1.0
  Pd  Pd41  1  0.608  0.250  0.308  1.0
  Pd  Pd42  1  0.108  0.250  0.192  1.0
  Pd  Pd43  1  0.906  0.750  0.539  1.0
  Pd  Pd44  1  0.406  0.750  0.961  1.0
  Pd  Pd45  1  0.094  0.250  0.461  1.0
  Pd  Pd46  1  0.594  0.250  0.039  1.0
  Pd  Pd47  1  0.516  0.250  0.571  1.0
[/CIF]
.
The material structure described by CaPdAs crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Pd(2), one Pd(4), two equivalent Pd(1), two equivalent Pd(3), one As(2), one As(3), two equivalent As(1), and two equivalent As(4) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(4), one As(3), one As(4), and two equivalent As(2) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one As(3), and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one As(1), one As(2), and one As(3) atom. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one As(2), and two equivalent As(4) atoms. In the fourth Pd site, Pd(4) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one As(2), one As(3), and one As(4) atom. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to four equivalent Ca(1), one Pd(2), and two equivalent Pd(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one Pd(2), one Pd(3), and one Pd(4) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Pd(1), one Pd(2), and one Pd(4) atom. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one Pd(4), and two equivalent Pd(3) atoms. is represented by the CIF card [CIF]
data_CaAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.160
_cell_length_b   8.672
_cell_length_c   16.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1036.533
_cell_formula_units_Z   16
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
  Ca  Ca0  1  0.766  0.008  0.188  1.0
  Ca  Ca1  1  0.266  0.492  0.312  1.0
  Ca  Ca2  1  0.234  0.508  0.812  1.0
  Ca  Ca3  1  0.734  0.992  0.688  1.0
  Ca  Ca4  1  0.234  0.992  0.812  1.0
  Ca  Ca5  1  0.734  0.508  0.688  1.0
  Ca  Ca6  1  0.766  0.492  0.188  1.0
  Ca  Ca7  1  0.266  0.008  0.312  1.0
  Ca  Ca8  1  0.252  0.021  0.061  1.0
  Ca  Ca9  1  0.752  0.479  0.439  1.0
  Ca  Ca10  1  0.748  0.521  0.939  1.0
  Ca  Ca11  1  0.248  0.979  0.561  1.0
  Ca  Ca12  1  0.748  0.979  0.939  1.0
  Ca  Ca13  1  0.248  0.521  0.561  1.0
  Ca  Ca14  1  0.252  0.479  0.061  1.0
  Ca  Ca15  1  0.752  0.021  0.439  1.0
  As  As16  1  0.571  0.750  0.290  1.0
  As  As17  1  0.929  0.250  0.790  1.0
  As  As18  1  0.429  0.250  0.710  1.0
  As  As19  1  0.577  0.750  0.571  1.0
  As  As20  1  0.077  0.750  0.929  1.0
  As  As21  1  0.423  0.250  0.429  1.0
  As  As22  1  0.923  0.250  0.071  1.0
  As  As23  1  0.641  0.750  0.067  1.0
  As  As24  1  0.071  0.750  0.210  1.0
  As  As25  1  0.141  0.750  0.433  1.0
  As  As26  1  0.359  0.250  0.933  1.0
  As  As27  1  0.859  0.250  0.567  1.0
  As  As28  1  0.051  0.750  0.678  1.0
  As  As29  1  0.551  0.750  0.822  1.0
  As  As30  1  0.949  0.250  0.322  1.0
  As  As31  1  0.449  0.250  0.178  1.0
  Pd  Pd32  1  0.394  0.750  0.167  1.0
  Pd  Pd33  1  0.894  0.750  0.333  1.0
  Pd  Pd34  1  0.606  0.250  0.833  1.0
  Pd  Pd35  1  0.106  0.250  0.667  1.0
  Pd  Pd36  1  0.984  0.750  0.071  1.0
  Pd  Pd37  1  0.484  0.750  0.429  1.0
  Pd  Pd38  1  0.016  0.250  0.929  1.0
  Pd  Pd39  1  0.392  0.750  0.692  1.0
  Pd  Pd40  1  0.892  0.750  0.808  1.0
  Pd  Pd41  1  0.608  0.250  0.308  1.0
  Pd  Pd42  1  0.108  0.250  0.192  1.0
  Pd  Pd43  1  0.906  0.750  0.539  1.0
  Pd  Pd44  1  0.406  0.750  0.961  1.0
  Pd  Pd45  1  0.094  0.250  0.461  1.0
  Pd  Pd46  1  0.594  0.250  0.039  1.0
  Pd  Pd47  1  0.516  0.250  0.571  1.0
[/CIF]
.