The material structure described by Na3SnCPO7 crystallizes in the monoclinic P2_1/m 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), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Na(2)O5 trigonal bipyramids. Sn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), and two equivalent O(4) atoms. 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(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Na(2)O5 trigonal bipyramids. There are six 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 to one Na(1), two equivalent Na(2), and one C(1) atom to form distorted edge-sharing ONa3C tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Na(2), one Sn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Sn(1), and one P(1) atom to form distorted edge-sharing ONa2SnP tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one P(1) atom. is represented by the CIF card [CIF]
data_Na3SnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   5.496
_cell_length_c   9.394
_cell_angle_alpha   83.623
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.818
_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  0.250  0.779  0.094  1.0
  Na  Na1  1  0.020  0.249  0.275  1.0
  Na  Na2  1  0.480  0.249  0.275  1.0
  Na  Na3  1  0.980  0.751  0.725  1.0
  Na  Na4  1  0.520  0.751  0.725  1.0
  Na  Na5  1  0.750  0.221  0.906  1.0
  Sn  Sn6  1  0.750  0.741  0.342  1.0
  Sn  Sn7  1  0.250  0.259  0.658  1.0
  P  P8  1  0.250  0.712  0.405  1.0
  P  P9  1  0.750  0.288  0.595  1.0
  C  C10  1  0.750  0.681  0.038  1.0
  C  C11  1  0.250  0.319  0.962  1.0
  O  O12  1  0.750  0.900  0.077  1.0
  O  O13  1  0.250  0.356  0.095  1.0
  O  O14  1  0.750  0.492  0.139  1.0
  O  O15  1  0.079  0.824  0.319  1.0
  O  O16  1  0.421  0.824  0.319  1.0
  O  O17  1  0.250  0.428  0.402  1.0
  O  O18  1  0.750  0.239  0.435  1.0
  O  O19  1  0.250  0.761  0.565  1.0
  O  O20  1  0.750  0.572  0.598  1.0
  O  O21  1  0.579  0.176  0.681  1.0
  O  O22  1  0.921  0.176  0.681  1.0
  O  O23  1  0.250  0.508  0.861  1.0
  O  O24  1  0.750  0.644  0.905  1.0
  O  O25  1  0.250  0.100  0.923  1.0
[/CIF]
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The material structure described by Na3SnCPO7 crystallizes in the monoclinic P2_1/m 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), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Na(2)O5 trigonal bipyramids. Sn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), and two equivalent O(4) atoms. 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(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Na(2)O5 trigonal bipyramids. There are six 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 to one Na(1), two equivalent Na(2), and one C(1) atom to form distorted edge-sharing ONa3C tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Na(2), one Sn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Sn(1), and one P(1) atom to form distorted edge-sharing ONa2SnP tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one P(1) atom. is represented by the CIF card [CIF]
data_Na3SnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   5.496
_cell_length_c   9.394
_cell_angle_alpha   83.623
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.818
_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  0.250  0.779  0.094  1.0
  Na  Na1  1  0.020  0.249  0.275  1.0
  Na  Na2  1  0.480  0.249  0.275  1.0
  Na  Na3  1  0.980  0.751  0.725  1.0
  Na  Na4  1  0.520  0.751  0.725  1.0
  Na  Na5  1  0.750  0.221  0.906  1.0
  Sn  Sn6  1  0.750  0.741  0.342  1.0
  Sn  Sn7  1  0.250  0.259  0.658  1.0
  P  P8  1  0.250  0.712  0.405  1.0
  P  P9  1  0.750  0.288  0.595  1.0
  C  C10  1  0.750  0.681  0.038  1.0
  C  C11  1  0.250  0.319  0.962  1.0
  O  O12  1  0.750  0.900  0.077  1.0
  O  O13  1  0.250  0.356  0.095  1.0
  O  O14  1  0.750  0.492  0.139  1.0
  O  O15  1  0.079  0.824  0.319  1.0
  O  O16  1  0.421  0.824  0.319  1.0
  O  O17  1  0.250  0.428  0.402  1.0
  O  O18  1  0.750  0.239  0.435  1.0
  O  O19  1  0.250  0.761  0.565  1.0
  O  O20  1  0.750  0.572  0.598  1.0
  O  O21  1  0.579  0.176  0.681  1.0
  O  O22  1  0.921  0.176  0.681  1.0
  O  O23  1  0.250  0.508  0.861  1.0
  O  O24  1  0.750  0.644  0.905  1.0
  O  O25  1  0.250  0.100  0.923  1.0
[/CIF]
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