The compound described by SrPd4B crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 17-coordinate geometry to three equivalent Pd(2), four equivalent Pd(1), eight equivalent Pd(3), and two equivalent B(1) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to four equivalent Sr(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to three equivalent Sr(1) and one B(1) atom. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to four equivalent Sr(1) and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one Pd(1), one Pd(2), and four equivalent Pd(3) atoms. is represented by the CIF card [CIF]
data_SrBPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.580
_cell_length_b   6.150
_cell_length_c   12.020
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.451
_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
  Sr  Sr0  1  0.750  0.312  0.160  1.0
  Sr  Sr1  1  0.750  0.812  0.340  1.0
  Sr  Sr2  1  0.250  0.688  0.840  1.0
  Sr  Sr3  1  0.250  0.188  0.660  1.0
  B  B4  1  0.750  0.402  0.552  1.0
  B  B5  1  0.750  0.902  0.948  1.0
  B  B6  1  0.250  0.598  0.448  1.0
  B  B7  1  0.250  0.098  0.052  1.0
  Pd  Pd8  1  0.750  0.387  0.733  1.0
  Pd  Pd9  1  0.750  0.887  0.767  1.0
  Pd  Pd10  1  0.250  0.613  0.267  1.0
  Pd  Pd11  1  0.250  0.113  0.233  1.0
  Pd  Pd12  1  0.750  0.063  0.559  1.0
  Pd  Pd13  1  0.750  0.563  0.941  1.0
  Pd  Pd14  1  0.250  0.937  0.441  1.0
  Pd  Pd15  1  0.250  0.437  0.059  1.0
  Pd  Pd16  1  0.997  0.165  0.914  1.0
  Pd  Pd17  1  0.503  0.665  0.586  1.0
  Pd  Pd18  1  0.497  0.835  0.086  1.0
  Pd  Pd19  1  0.003  0.335  0.414  1.0
  Pd  Pd20  1  0.003  0.835  0.086  1.0
  Pd  Pd21  1  0.497  0.335  0.414  1.0
  Pd  Pd22  1  0.503  0.165  0.914  1.0
  Pd  Pd23  1  0.997  0.665  0.586  1.0
[/CIF]
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The compound described by SrPd4B crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 17-coordinate geometry to three equivalent Pd(2), four equivalent Pd(1), eight equivalent Pd(3), and two equivalent B(1) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to four equivalent Sr(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to three equivalent Sr(1) and one B(1) atom. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to four equivalent Sr(1) and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one Pd(1), one Pd(2), and four equivalent Pd(3) atoms. is represented by the CIF card [CIF]
data_SrBPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.580
_cell_length_b   6.150
_cell_length_c   12.020
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.451
_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
  Sr  Sr0  1  0.750  0.312  0.160  1.0
  Sr  Sr1  1  0.750  0.812  0.340  1.0
  Sr  Sr2  1  0.250  0.688  0.840  1.0
  Sr  Sr3  1  0.250  0.188  0.660  1.0
  B  B4  1  0.750  0.402  0.552  1.0
  B  B5  1  0.750  0.902  0.948  1.0
  B  B6  1  0.250  0.598  0.448  1.0
  B  B7  1  0.250  0.098  0.052  1.0
  Pd  Pd8  1  0.750  0.387  0.733  1.0
  Pd  Pd9  1  0.750  0.887  0.767  1.0
  Pd  Pd10  1  0.250  0.613  0.267  1.0
  Pd  Pd11  1  0.250  0.113  0.233  1.0
  Pd  Pd12  1  0.750  0.063  0.559  1.0
  Pd  Pd13  1  0.750  0.563  0.941  1.0
  Pd  Pd14  1  0.250  0.937  0.441  1.0
  Pd  Pd15  1  0.250  0.437  0.059  1.0
  Pd  Pd16  1  0.997  0.165  0.914  1.0
  Pd  Pd17  1  0.503  0.665  0.586  1.0
  Pd  Pd18  1  0.497  0.835  0.086  1.0
  Pd  Pd19  1  0.003  0.335  0.414  1.0
  Pd  Pd20  1  0.003  0.835  0.086  1.0
  Pd  Pd21  1  0.497  0.335  0.414  1.0
  Pd  Pd22  1  0.503  0.165  0.914  1.0
  Pd  Pd23  1  0.997  0.665  0.586  1.0
[/CIF]
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