The material described by ZnSn3(P2O7)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(7) atom. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Sn(2) and one P(2) atom. In the third O site, O(7) is bonded in a 2-coordinate geometry to one Sn(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Sn(2) and one P(2) atom. In the fifth O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_ZnSn3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.267
_cell_length_b   8.135
_cell_length_c   10.040
_cell_angle_alpha   76.232
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   655.829
_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  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.137  0.803  0.517  1.0
  Sn  Sn3  1  0.637  0.197  0.983  1.0
  Sn  Sn4  1  0.863  0.197  0.483  1.0
  Sn  Sn5  1  0.363  0.803  0.017  1.0
  Sn  Sn6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.500  0.000  0.500  1.0
  P  P8  1  0.962  0.439  0.706  1.0
  P  P9  1  0.462  0.561  0.794  1.0
  P  P10  1  0.038  0.561  0.294  1.0
  P  P11  1  0.538  0.439  0.206  1.0
  P  P12  1  0.203  0.181  0.674  1.0
  P  P13  1  0.703  0.819  0.826  1.0
  P  P14  1  0.797  0.819  0.326  1.0
  P  P15  1  0.297  0.181  0.174  1.0
  O  O16  1  0.366  0.218  0.600  1.0
  O  O17  1  0.866  0.782  0.900  1.0
  O  O18  1  0.634  0.782  0.400  1.0
  O  O19  1  0.134  0.218  0.100  1.0
  O  O20  1  0.443  0.610  0.635  1.0
  O  O21  1  0.943  0.390  0.865  1.0
  O  O22  1  0.557  0.390  0.365  1.0
  O  O23  1  0.057  0.610  0.135  1.0
  O  O24  1  0.831  0.348  0.643  1.0
  O  O25  1  0.331  0.652  0.857  1.0
  O  O26  1  0.169  0.652  0.357  1.0
  O  O27  1  0.669  0.348  0.143  1.0
  O  O28  1  0.136  0.371  0.671  1.0
  O  O29  1  0.636  0.629  0.829  1.0
  O  O30  1  0.864  0.629  0.329  1.0
  O  O31  1  0.364  0.371  0.171  1.0
  O  O32  1  0.530  0.630  0.149  1.0
  O  O33  1  0.030  0.370  0.351  1.0
  O  O34  1  0.470  0.370  0.851  1.0
  O  O35  1  0.970  0.630  0.649  1.0
  O  O36  1  0.793  0.922  0.179  1.0
  O  O37  1  0.293  0.078  0.321  1.0
  O  O38  1  0.207  0.078  0.821  1.0
  O  O39  1  0.707  0.922  0.679  1.0
  O  O40  1  0.422  0.100  0.092  1.0
  O  O41  1  0.922  0.900  0.408  1.0
  O  O42  1  0.578  0.900  0.908  1.0
  O  O43  1  0.078  0.100  0.592  1.0
[/CIF]
.
The material described by ZnSn3(P2O7)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(7) atom. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Sn(2) and one P(2) atom. In the third O site, O(7) is bonded in a 2-coordinate geometry to one Sn(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Sn(2) and one P(2) atom. In the fifth O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_ZnSn3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.267
_cell_length_b   8.135
_cell_length_c   10.040
_cell_angle_alpha   76.232
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   655.829
_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  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.137  0.803  0.517  1.0
  Sn  Sn3  1  0.637  0.197  0.983  1.0
  Sn  Sn4  1  0.863  0.197  0.483  1.0
  Sn  Sn5  1  0.363  0.803  0.017  1.0
  Sn  Sn6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.500  0.000  0.500  1.0
  P  P8  1  0.962  0.439  0.706  1.0
  P  P9  1  0.462  0.561  0.794  1.0
  P  P10  1  0.038  0.561  0.294  1.0
  P  P11  1  0.538  0.439  0.206  1.0
  P  P12  1  0.203  0.181  0.674  1.0
  P  P13  1  0.703  0.819  0.826  1.0
  P  P14  1  0.797  0.819  0.326  1.0
  P  P15  1  0.297  0.181  0.174  1.0
  O  O16  1  0.366  0.218  0.600  1.0
  O  O17  1  0.866  0.782  0.900  1.0
  O  O18  1  0.634  0.782  0.400  1.0
  O  O19  1  0.134  0.218  0.100  1.0
  O  O20  1  0.443  0.610  0.635  1.0
  O  O21  1  0.943  0.390  0.865  1.0
  O  O22  1  0.557  0.390  0.365  1.0
  O  O23  1  0.057  0.610  0.135  1.0
  O  O24  1  0.831  0.348  0.643  1.0
  O  O25  1  0.331  0.652  0.857  1.0
  O  O26  1  0.169  0.652  0.357  1.0
  O  O27  1  0.669  0.348  0.143  1.0
  O  O28  1  0.136  0.371  0.671  1.0
  O  O29  1  0.636  0.629  0.829  1.0
  O  O30  1  0.864  0.629  0.329  1.0
  O  O31  1  0.364  0.371  0.171  1.0
  O  O32  1  0.530  0.630  0.149  1.0
  O  O33  1  0.030  0.370  0.351  1.0
  O  O34  1  0.470  0.370  0.851  1.0
  O  O35  1  0.970  0.630  0.649  1.0
  O  O36  1  0.793  0.922  0.179  1.0
  O  O37  1  0.293  0.078  0.321  1.0
  O  O38  1  0.207  0.078  0.821  1.0
  O  O39  1  0.707  0.922  0.679  1.0
  O  O40  1  0.422  0.100  0.092  1.0
  O  O41  1  0.922  0.900  0.408  1.0
  O  O42  1  0.578  0.900  0.908  1.0
  O  O43  1  0.078  0.100  0.592  1.0
[/CIF]
.