The material described by ZnSn(PO3)4 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-68°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-67°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Zn(1), one Sn(1), and one P(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one Zn(1), one Sn(1), and one P(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_ZnSn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.599
_cell_length_b   7.599
_cell_length_c   10.992
_cell_angle_alpha   65.684
_cell_angle_beta   65.684
_cell_angle_gamma   70.258
_symmetry_Int_Tables_number   1
_cell_volume   516.132
_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
  Zn  Zn0  1  0.993  0.007  0.250  1.0
  Zn  Zn1  1  0.007  0.993  0.750  1.0
  Sn  Sn2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.704  0.684  0.317  1.0
  P  P5  1  0.316  0.296  0.183  1.0
  P  P6  1  0.296  0.316  0.683  1.0
  P  P7  1  0.684  0.704  0.817  1.0
  P  P8  1  0.755  0.272  0.514  1.0
  P  P9  1  0.728  0.245  0.986  1.0
  P  P10  1  0.245  0.728  0.486  1.0
  P  P11  1  0.272  0.755  0.014  1.0
  O  O12  1  0.467  0.711  0.376  1.0
  O  O13  1  0.289  0.533  0.124  1.0
  O  O14  1  0.533  0.289  0.624  1.0
  O  O15  1  0.711  0.467  0.876  1.0
  O  O16  1  0.777  0.498  0.438  1.0
  O  O17  1  0.502  0.223  0.062  1.0
  O  O18  1  0.223  0.502  0.562  1.0
  O  O19  1  0.498  0.777  0.938  1.0
  O  O20  1  0.774  0.647  0.180  1.0
  O  O21  1  0.353  0.226  0.320  1.0
  O  O22  1  0.226  0.353  0.820  1.0
  O  O23  1  0.647  0.774  0.680  1.0
  O  O24  1  0.756  0.858  0.320  1.0
  O  O25  1  0.142  0.244  0.180  1.0
  O  O26  1  0.244  0.142  0.680  1.0
  O  O27  1  0.858  0.756  0.820  1.0
  O  O28  1  0.762  0.186  0.409  1.0
  O  O29  1  0.814  0.238  0.091  1.0
  O  O30  1  0.238  0.814  0.591  1.0
  O  O31  1  0.186  0.762  0.909  1.0
  O  O32  1  0.897  0.175  0.595  1.0
  O  O33  1  0.825  0.103  0.905  1.0
  O  O34  1  0.103  0.825  0.405  1.0
  O  O35  1  0.175  0.897  0.095  1.0
[/CIF]
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The material described by ZnSn(PO3)4 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-68°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-67°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Zn(1), one Sn(1), and one P(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one Zn(1), one Sn(1), and one P(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_ZnSn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.599
_cell_length_b   7.599
_cell_length_c   10.992
_cell_angle_alpha   65.684
_cell_angle_beta   65.684
_cell_angle_gamma   70.258
_symmetry_Int_Tables_number   1
_cell_volume   516.132
_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
  Zn  Zn0  1  0.993  0.007  0.250  1.0
  Zn  Zn1  1  0.007  0.993  0.750  1.0
  Sn  Sn2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.704  0.684  0.317  1.0
  P  P5  1  0.316  0.296  0.183  1.0
  P  P6  1  0.296  0.316  0.683  1.0
  P  P7  1  0.684  0.704  0.817  1.0
  P  P8  1  0.755  0.272  0.514  1.0
  P  P9  1  0.728  0.245  0.986  1.0
  P  P10  1  0.245  0.728  0.486  1.0
  P  P11  1  0.272  0.755  0.014  1.0
  O  O12  1  0.467  0.711  0.376  1.0
  O  O13  1  0.289  0.533  0.124  1.0
  O  O14  1  0.533  0.289  0.624  1.0
  O  O15  1  0.711  0.467  0.876  1.0
  O  O16  1  0.777  0.498  0.438  1.0
  O  O17  1  0.502  0.223  0.062  1.0
  O  O18  1  0.223  0.502  0.562  1.0
  O  O19  1  0.498  0.777  0.938  1.0
  O  O20  1  0.774  0.647  0.180  1.0
  O  O21  1  0.353  0.226  0.320  1.0
  O  O22  1  0.226  0.353  0.820  1.0
  O  O23  1  0.647  0.774  0.680  1.0
  O  O24  1  0.756  0.858  0.320  1.0
  O  O25  1  0.142  0.244  0.180  1.0
  O  O26  1  0.244  0.142  0.680  1.0
  O  O27  1  0.858  0.756  0.820  1.0
  O  O28  1  0.762  0.186  0.409  1.0
  O  O29  1  0.814  0.238  0.091  1.0
  O  O30  1  0.238  0.814  0.591  1.0
  O  O31  1  0.186  0.762  0.909  1.0
  O  O32  1  0.897  0.175  0.595  1.0
  O  O33  1  0.825  0.103  0.905  1.0
  O  O34  1  0.103  0.825  0.405  1.0
  O  O35  1  0.175  0.897  0.095  1.0
[/CIF]
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