The compound described by CaSn3P3O13 crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(5), one O(6), and two equivalent O(8) atoms to form SnO5 trigonal bipyramids that share corners with two equivalent Sn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Sn site, Sn(2) is bonded to one O(3), one O(7), and two equivalent O(2) atoms to form distorted SnO4 trigonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Sn(1)O5 trigonal bipyramids, and edges with two equivalent Sn(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O5 trigonal bipyramid and corners with three equivalent Sn(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(3)O6 octahedra, corners with two equivalent Sn(1)O5 trigonal bipyramids, and  a cornercorner with one Sn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(3)O6 octahedra and  a cornercorner with one Sn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Sn(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(3) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Sn(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Sn(1) and two equivalent Sn(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a distorted linear geometry to one Ca(1) and one P(3) atom. is represented by the CIF card [CIF]
data_CaSn3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   7.725
_cell_length_c   11.134
_cell_angle_alpha   81.906
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.103
_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
  Ca  Ca0  1  0.750  0.357  0.203  1.0
  Ca  Ca1  1  0.250  0.643  0.797  1.0
  Sn  Sn2  1  0.250  0.676  0.243  1.0
  Sn  Sn3  1  0.750  0.324  0.757  1.0
  Sn  Sn4  1  0.250  0.240  0.456  1.0
  Sn  Sn5  1  0.500  0.000  0.000  1.0
  Sn  Sn6  1  0.750  0.760  0.544  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.786  0.519  1.0
  P  P9  1  0.750  0.214  0.481  1.0
  P  P10  1  0.250  0.232  0.760  1.0
  P  P11  1  0.750  0.768  0.240  1.0
  P  P12  1  0.750  0.660  0.906  1.0
  P  P13  1  0.250  0.340  0.094  1.0
  O  O14  1  0.750  0.578  0.782  1.0
  O  O15  1  0.576  0.249  0.394  1.0
  O  O16  1  0.250  0.124  0.657  1.0
  O  O17  1  0.561  0.777  0.896  1.0
  O  O18  1  0.750  0.356  0.574  1.0
  O  O19  1  0.750  0.132  0.903  1.0
  O  O20  1  0.250  0.644  0.426  1.0
  O  O21  1  0.061  0.223  0.104  1.0
  O  O22  1  0.250  0.962  0.434  1.0
  O  O23  1  0.750  0.038  0.566  1.0
  O  O24  1  0.070  0.353  0.764  1.0
  O  O25  1  0.250  0.868  0.097  1.0
  O  O26  1  0.570  0.647  0.236  1.0
  O  O27  1  0.750  0.517  0.013  1.0
  O  O28  1  0.750  0.876  0.343  1.0
  O  O29  1  0.439  0.223  0.104  1.0
  O  O30  1  0.924  0.249  0.394  1.0
  O  O31  1  0.424  0.751  0.606  1.0
  O  O32  1  0.430  0.353  0.764  1.0
  O  O33  1  0.250  0.422  0.218  1.0
  O  O34  1  0.750  0.907  0.118  1.0
  O  O35  1  0.250  0.093  0.882  1.0
  O  O36  1  0.930  0.647  0.236  1.0
  O  O37  1  0.939  0.777  0.896  1.0
  O  O38  1  0.076  0.751  0.606  1.0
  O  O39  1  0.250  0.483  0.987  1.0
[/CIF]
.
The compound described by CaSn3P3O13 crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(5), one O(6), and two equivalent O(8) atoms to form SnO5 trigonal bipyramids that share corners with two equivalent Sn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Sn site, Sn(2) is bonded to one O(3), one O(7), and two equivalent O(2) atoms to form distorted SnO4 trigonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Sn(1)O5 trigonal bipyramids, and edges with two equivalent Sn(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O5 trigonal bipyramid and corners with three equivalent Sn(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(3)O6 octahedra, corners with two equivalent Sn(1)O5 trigonal bipyramids, and  a cornercorner with one Sn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(3)O6 octahedra and  a cornercorner with one Sn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Sn(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(3) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Sn(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Sn(1) and two equivalent Sn(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a distorted linear geometry to one Ca(1) and one P(3) atom. is represented by the CIF card [CIF]
data_CaSn3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   7.725
_cell_length_c   11.134
_cell_angle_alpha   81.906
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.103
_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
  Ca  Ca0  1  0.750  0.357  0.203  1.0
  Ca  Ca1  1  0.250  0.643  0.797  1.0
  Sn  Sn2  1  0.250  0.676  0.243  1.0
  Sn  Sn3  1  0.750  0.324  0.757  1.0
  Sn  Sn4  1  0.250  0.240  0.456  1.0
  Sn  Sn5  1  0.500  0.000  0.000  1.0
  Sn  Sn6  1  0.750  0.760  0.544  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.786  0.519  1.0
  P  P9  1  0.750  0.214  0.481  1.0
  P  P10  1  0.250  0.232  0.760  1.0
  P  P11  1  0.750  0.768  0.240  1.0
  P  P12  1  0.750  0.660  0.906  1.0
  P  P13  1  0.250  0.340  0.094  1.0
  O  O14  1  0.750  0.578  0.782  1.0
  O  O15  1  0.576  0.249  0.394  1.0
  O  O16  1  0.250  0.124  0.657  1.0
  O  O17  1  0.561  0.777  0.896  1.0
  O  O18  1  0.750  0.356  0.574  1.0
  O  O19  1  0.750  0.132  0.903  1.0
  O  O20  1  0.250  0.644  0.426  1.0
  O  O21  1  0.061  0.223  0.104  1.0
  O  O22  1  0.250  0.962  0.434  1.0
  O  O23  1  0.750  0.038  0.566  1.0
  O  O24  1  0.070  0.353  0.764  1.0
  O  O25  1  0.250  0.868  0.097  1.0
  O  O26  1  0.570  0.647  0.236  1.0
  O  O27  1  0.750  0.517  0.013  1.0
  O  O28  1  0.750  0.876  0.343  1.0
  O  O29  1  0.439  0.223  0.104  1.0
  O  O30  1  0.924  0.249  0.394  1.0
  O  O31  1  0.424  0.751  0.606  1.0
  O  O32  1  0.430  0.353  0.764  1.0
  O  O33  1  0.250  0.422  0.218  1.0
  O  O34  1  0.750  0.907  0.118  1.0
  O  O35  1  0.250  0.093  0.882  1.0
  O  O36  1  0.930  0.647  0.236  1.0
  O  O37  1  0.939  0.777  0.896  1.0
  O  O38  1  0.076  0.751  0.606  1.0
  O  O39  1  0.250  0.483  0.987  1.0
[/CIF]
.