The crystal structure described by Na2SnCPO7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form NaO5 trigonal bipyramids that share corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-81°. Sn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted SnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, and  an edgeedge with one Na(2)O5 trigonal bipyramid. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Sn(1)O6 octahedra and corners with three equivalent Na(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Sn(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Sn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one Sn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(2), one Sn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2SnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.915
_cell_length_b   5.577
_cell_length_c   9.144
_cell_angle_alpha   86.597
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.007
_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
  Na  Na0  1  0.258  0.776  0.083  1.0
  Na  Na1  1  0.034  0.260  0.273  1.0
  Na  Na2  1  0.534  0.740  0.727  1.0
  Na  Na3  1  0.758  0.224  0.917  1.0
  Sn  Sn4  1  0.739  0.784  0.341  1.0
  Sn  Sn5  1  0.239  0.216  0.659  1.0
  P  P6  1  0.247  0.725  0.419  1.0
  P  P7  1  0.747  0.275  0.581  1.0
  C  C8  1  0.752  0.688  0.051  1.0
  C  C9  1  0.252  0.312  0.949  1.0
  O  O10  1  0.739  0.911  0.093  1.0
  O  O11  1  0.229  0.362  0.081  1.0
  O  O12  1  0.785  0.520  0.156  1.0
  O  O13  1  0.424  0.780  0.314  1.0
  O  O14  1  0.072  0.824  0.324  1.0
  O  O15  1  0.770  0.156  0.434  1.0
  O  O16  1  0.222  0.449  0.449  1.0
  O  O17  1  0.722  0.551  0.551  1.0
  O  O18  1  0.270  0.844  0.566  1.0
  O  O19  1  0.572  0.176  0.676  1.0
  O  O20  1  0.924  0.220  0.686  1.0
  O  O21  1  0.285  0.480  0.844  1.0
  O  O22  1  0.729  0.638  0.919  1.0
  O  O23  1  0.239  0.089  0.907  1.0
[/CIF]
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The crystal structure described by Na2SnCPO7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form NaO5 trigonal bipyramids that share corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-81°. Sn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted SnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, and  an edgeedge with one Na(2)O5 trigonal bipyramid. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Sn(1)O6 octahedra and corners with three equivalent Na(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Sn(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Sn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one Sn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(2), one Sn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2SnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.915
_cell_length_b   5.577
_cell_length_c   9.144
_cell_angle_alpha   86.597
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.007
_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
  Na  Na0  1  0.258  0.776  0.083  1.0
  Na  Na1  1  0.034  0.260  0.273  1.0
  Na  Na2  1  0.534  0.740  0.727  1.0
  Na  Na3  1  0.758  0.224  0.917  1.0
  Sn  Sn4  1  0.739  0.784  0.341  1.0
  Sn  Sn5  1  0.239  0.216  0.659  1.0
  P  P6  1  0.247  0.725  0.419  1.0
  P  P7  1  0.747  0.275  0.581  1.0
  C  C8  1  0.752  0.688  0.051  1.0
  C  C9  1  0.252  0.312  0.949  1.0
  O  O10  1  0.739  0.911  0.093  1.0
  O  O11  1  0.229  0.362  0.081  1.0
  O  O12  1  0.785  0.520  0.156  1.0
  O  O13  1  0.424  0.780  0.314  1.0
  O  O14  1  0.072  0.824  0.324  1.0
  O  O15  1  0.770  0.156  0.434  1.0
  O  O16  1  0.222  0.449  0.449  1.0
  O  O17  1  0.722  0.551  0.551  1.0
  O  O18  1  0.270  0.844  0.566  1.0
  O  O19  1  0.572  0.176  0.676  1.0
  O  O20  1  0.924  0.220  0.686  1.0
  O  O21  1  0.285  0.480  0.844  1.0
  O  O22  1  0.729  0.638  0.919  1.0
  O  O23  1  0.239  0.089  0.907  1.0
[/CIF]
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