The material described by CaSb3P3O13 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 Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(6), and two equivalent O(8) atoms. In the second Sb site, Sb(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form SbO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Sb(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 corners with three equivalent Sb(2)O5 square 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 Sb(3)O6 octahedra and  a cornercorner with one Sb(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 53°. 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 Sb(3)O6 octahedra and  a cornercorner with one Sb(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 49°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Sb(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), and one P(3) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1), one Sb(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(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 Sb(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one Sb(1) and two equivalent Sb(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(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 Sb(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 2-coordinate geometry to one Ca(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSb3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.978
_cell_length_b   8.205
_cell_length_c   11.170
_cell_angle_alpha   77.878
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   625.217
_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  0.374  0.178  1.0
  Ca  Ca1  1  0.250  0.626  0.822  1.0
  Sb  Sb2  1  0.250  0.649  0.231  1.0
  Sb  Sb3  1  0.750  0.351  0.769  1.0
  Sb  Sb4  1  0.250  0.239  0.439  1.0
  Sb  Sb5  1  0.500  0.000  0.000  1.0
  Sb  Sb6  1  0.750  0.761  0.561  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.808  0.513  1.0
  P  P9  1  0.750  0.192  0.487  1.0
  P  P10  1  0.250  0.261  0.763  1.0
  P  P11  1  0.750  0.739  0.237  1.0
  P  P12  1  0.750  0.685  0.894  1.0
  P  P13  1  0.250  0.315  0.106  1.0
  O  O14  1  0.750  0.677  0.755  1.0
  O  O15  1  0.574  0.229  0.399  1.0
  O  O16  1  0.250  0.194  0.647  1.0
  O  O17  1  0.559  0.775  0.914  1.0
  O  O18  1  0.750  0.302  0.584  1.0
  O  O19  1  0.750  0.130  0.888  1.0
  O  O20  1  0.250  0.698  0.416  1.0
  O  O21  1  0.059  0.225  0.086  1.0
  O  O22  1  0.250  0.993  0.439  1.0
  O  O23  1  0.750  0.007  0.561  1.0
  O  O24  1  0.077  0.375  0.780  1.0
  O  O25  1  0.250  0.870  0.112  1.0
  O  O26  1  0.577  0.625  0.220  1.0
  O  O27  1  0.750  0.505  0.969  1.0
  O  O28  1  0.750  0.806  0.353  1.0
  O  O29  1  0.441  0.225  0.086  1.0
  O  O30  1  0.926  0.229  0.399  1.0
  O  O31  1  0.426  0.771  0.601  1.0
  O  O32  1  0.423  0.375  0.780  1.0
  O  O33  1  0.250  0.323  0.245  1.0
  O  O34  1  0.750  0.900  0.130  1.0
  O  O35  1  0.250  0.100  0.870  1.0
  O  O36  1  0.923  0.625  0.220  1.0
  O  O37  1  0.941  0.775  0.914  1.0
  O  O38  1  0.074  0.771  0.601  1.0
  O  O39  1  0.250  0.495  0.031  1.0
[/CIF]
.
The material described by CaSb3P3O13 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 Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(6), and two equivalent O(8) atoms. In the second Sb site, Sb(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form SbO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Sb(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 corners with three equivalent Sb(2)O5 square 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 Sb(3)O6 octahedra and  a cornercorner with one Sb(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 53°. 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 Sb(3)O6 octahedra and  a cornercorner with one Sb(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 49°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Sb(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), and one P(3) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1), one Sb(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(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 Sb(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one Sb(1) and two equivalent Sb(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(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 Sb(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 2-coordinate geometry to one Ca(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSb3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.978
_cell_length_b   8.205
_cell_length_c   11.170
_cell_angle_alpha   77.878
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   625.217
_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  0.374  0.178  1.0
  Ca  Ca1  1  0.250  0.626  0.822  1.0
  Sb  Sb2  1  0.250  0.649  0.231  1.0
  Sb  Sb3  1  0.750  0.351  0.769  1.0
  Sb  Sb4  1  0.250  0.239  0.439  1.0
  Sb  Sb5  1  0.500  0.000  0.000  1.0
  Sb  Sb6  1  0.750  0.761  0.561  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.808  0.513  1.0
  P  P9  1  0.750  0.192  0.487  1.0
  P  P10  1  0.250  0.261  0.763  1.0
  P  P11  1  0.750  0.739  0.237  1.0
  P  P12  1  0.750  0.685  0.894  1.0
  P  P13  1  0.250  0.315  0.106  1.0
  O  O14  1  0.750  0.677  0.755  1.0
  O  O15  1  0.574  0.229  0.399  1.0
  O  O16  1  0.250  0.194  0.647  1.0
  O  O17  1  0.559  0.775  0.914  1.0
  O  O18  1  0.750  0.302  0.584  1.0
  O  O19  1  0.750  0.130  0.888  1.0
  O  O20  1  0.250  0.698  0.416  1.0
  O  O21  1  0.059  0.225  0.086  1.0
  O  O22  1  0.250  0.993  0.439  1.0
  O  O23  1  0.750  0.007  0.561  1.0
  O  O24  1  0.077  0.375  0.780  1.0
  O  O25  1  0.250  0.870  0.112  1.0
  O  O26  1  0.577  0.625  0.220  1.0
  O  O27  1  0.750  0.505  0.969  1.0
  O  O28  1  0.750  0.806  0.353  1.0
  O  O29  1  0.441  0.225  0.086  1.0
  O  O30  1  0.926  0.229  0.399  1.0
  O  O31  1  0.426  0.771  0.601  1.0
  O  O32  1  0.423  0.375  0.780  1.0
  O  O33  1  0.250  0.323  0.245  1.0
  O  O34  1  0.750  0.900  0.130  1.0
  O  O35  1  0.250  0.100  0.870  1.0
  O  O36  1  0.923  0.625  0.220  1.0
  O  O37  1  0.941  0.775  0.914  1.0
  O  O38  1  0.074  0.771  0.601  1.0
  O  O39  1  0.250  0.495  0.031  1.0
[/CIF]
.