The material described by Sr5(SnP3)2 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one P(1), two equivalent P(3), and four equivalent P(2) atoms. In the second Sr site, Sr(2) is bonded to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms to form distorted SrP6 octahedra that share corners with two equivalent Sr(2)P6 octahedra, corners with three equivalent Sr(3)P6 octahedra, corners with four equivalent Sn(1)P4 tetrahedra, edges with two equivalent Sr(2)P6 octahedra, edges with two equivalent Sn(1)P4 tetrahedra, and  a faceface with one Sr(3)P6 octahedra. The corner-sharing octahedral tilt angles range from 29-57°. In the third Sr site, Sr(3) is bonded to two equivalent P(1) and four equivalent P(3) atoms to form distorted SrP6 octahedra that share corners with six equivalent Sr(2)P6 octahedra, edges with two equivalent Sr(3)P6 octahedra, edges with four equivalent Sn(1)P4 tetrahedra, and faces with two equivalent Sr(2)P6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. Sn(1) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form SnP4 tetrahedra that share corners with four equivalent Sr(2)P6 octahedra, corners with two equivalent Sn(1)P4 tetrahedra, edges with two equivalent Sr(2)P6 octahedra, and edges with two equivalent Sr(3)P6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and two equivalent Sn(1) atoms. In the second P site, P(2) is bonded to two equivalent Sr(2), four equivalent Sr(1), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PSr6Sn pentagonal bipyramids. In the third P site, P(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PSr6Sn pentagonal bipyramids. is represented by the CIF card [CIF]
data_Sr5(SnP3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.168
_cell_length_b   12.307
_cell_length_c   13.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   713.878
_cell_formula_units_Z   2
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  0.000  0.629  0.070  1.0
  Sr  Sr1  1  0.000  0.619  0.742  1.0
  Sr  Sr2  1  0.000  0.129  0.430  1.0
  Sr  Sr3  1  0.000  0.871  0.570  1.0
  Sr  Sr4  1  0.000  0.500  0.500  1.0
  Sr  Sr5  1  0.000  0.000  0.000  1.0
  Sr  Sr6  1  0.000  0.881  0.242  1.0
  Sr  Sr7  1  0.000  0.119  0.758  1.0
  Sr  Sr8  1  0.000  0.381  0.258  1.0
  Sr  Sr9  1  0.000  0.371  0.930  1.0
  Sn  Sn10  1  0.500  0.285  0.603  1.0
  Sn  Sn11  1  0.500  0.215  0.103  1.0
  Sn  Sn12  1  0.500  0.785  0.897  1.0
  Sn  Sn13  1  0.500  0.715  0.397  1.0
  P  P14  1  0.000  0.634  0.306  1.0
  P  P15  1  0.500  0.080  0.602  1.0
  P  P16  1  0.500  0.420  0.102  1.0
  P  P17  1  0.500  0.580  0.898  1.0
  P  P18  1  0.500  0.670  0.576  1.0
  P  P19  1  0.500  0.330  0.424  1.0
  P  P20  1  0.500  0.170  0.924  1.0
  P  P21  1  0.500  0.830  0.076  1.0
  P  P22  1  0.500  0.920  0.398  1.0
  P  P23  1  0.000  0.866  0.806  1.0
  P  P24  1  0.000  0.365  0.694  1.0
  P  P25  1  0.000  0.135  0.194  1.0
[/CIF]
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The material described by Sr5(SnP3)2 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one P(1), two equivalent P(3), and four equivalent P(2) atoms. In the second Sr site, Sr(2) is bonded to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms to form distorted SrP6 octahedra that share corners with two equivalent Sr(2)P6 octahedra, corners with three equivalent Sr(3)P6 octahedra, corners with four equivalent Sn(1)P4 tetrahedra, edges with two equivalent Sr(2)P6 octahedra, edges with two equivalent Sn(1)P4 tetrahedra, and  a faceface with one Sr(3)P6 octahedra. The corner-sharing octahedral tilt angles range from 29-57°. In the third Sr site, Sr(3) is bonded to two equivalent P(1) and four equivalent P(3) atoms to form distorted SrP6 octahedra that share corners with six equivalent Sr(2)P6 octahedra, edges with two equivalent Sr(3)P6 octahedra, edges with four equivalent Sn(1)P4 tetrahedra, and faces with two equivalent Sr(2)P6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. Sn(1) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form SnP4 tetrahedra that share corners with four equivalent Sr(2)P6 octahedra, corners with two equivalent Sn(1)P4 tetrahedra, edges with two equivalent Sr(2)P6 octahedra, and edges with two equivalent Sr(3)P6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and two equivalent Sn(1) atoms. In the second P site, P(2) is bonded to two equivalent Sr(2), four equivalent Sr(1), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PSr6Sn pentagonal bipyramids. In the third P site, P(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PSr6Sn pentagonal bipyramids. is represented by the CIF card [CIF]
data_Sr5(SnP3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.168
_cell_length_b   12.307
_cell_length_c   13.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   713.878
_cell_formula_units_Z   2
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  0.000  0.629  0.070  1.0
  Sr  Sr1  1  0.000  0.619  0.742  1.0
  Sr  Sr2  1  0.000  0.129  0.430  1.0
  Sr  Sr3  1  0.000  0.871  0.570  1.0
  Sr  Sr4  1  0.000  0.500  0.500  1.0
  Sr  Sr5  1  0.000  0.000  0.000  1.0
  Sr  Sr6  1  0.000  0.881  0.242  1.0
  Sr  Sr7  1  0.000  0.119  0.758  1.0
  Sr  Sr8  1  0.000  0.381  0.258  1.0
  Sr  Sr9  1  0.000  0.371  0.930  1.0
  Sn  Sn10  1  0.500  0.285  0.603  1.0
  Sn  Sn11  1  0.500  0.215  0.103  1.0
  Sn  Sn12  1  0.500  0.785  0.897  1.0
  Sn  Sn13  1  0.500  0.715  0.397  1.0
  P  P14  1  0.000  0.634  0.306  1.0
  P  P15  1  0.500  0.080  0.602  1.0
  P  P16  1  0.500  0.420  0.102  1.0
  P  P17  1  0.500  0.580  0.898  1.0
  P  P18  1  0.500  0.670  0.576  1.0
  P  P19  1  0.500  0.330  0.424  1.0
  P  P20  1  0.500  0.170  0.924  1.0
  P  P21  1  0.500  0.830  0.076  1.0
  P  P22  1  0.500  0.920  0.398  1.0
  P  P23  1  0.000  0.866  0.806  1.0
  P  P24  1  0.000  0.365  0.694  1.0
  P  P25  1  0.000  0.135  0.194  1.0
[/CIF]
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