The compound described by CaBi3P3O13 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 Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra,  a cornercorner with one Bi(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Bi site, Bi(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form distorted BiO5 square pyramids that share  a cornercorner with one Bi(1)O6 octahedra,  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. The corner-sharing octahedral tilt angles are 62°. In the third Bi site, Bi(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Bi(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. 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 Bi(1)O6 octahedra and corners with three equivalent Bi(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 41°. 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 Bi(1)O6 octahedra, corners with two equivalent Bi(3)O6 octahedra, and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-51°. 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 Bi(3)O6 octahedra,  a cornercorner with one Bi(2)O5 square pyramid, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted single-bond geometry to two equivalent Bi(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(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 Bi(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted linear geometry to one Bi(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Ca(1), one Bi(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Bi(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 Bi(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Bi(1), and one P(3) atom. is represented by the CIF file [CIF]
data_CaBi3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.131
_cell_length_b   8.472
_cell_length_c   11.112
_cell_angle_alpha   79.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   661.117
_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  0.382  0.182  1.0
  Ca  Ca1  1  0.250  0.618  0.818  1.0
  Bi  Bi2  1  0.250  0.643  0.222  1.0
  Bi  Bi3  1  0.750  0.357  0.778  1.0
  Bi  Bi4  1  0.250  0.203  0.440  1.0
  Bi  Bi5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.750  0.797  0.560  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.776  0.515  1.0
  P  P9  1  0.750  0.224  0.485  1.0
  P  P10  1  0.250  0.272  0.766  1.0
  P  P11  1  0.750  0.728  0.234  1.0
  P  P12  1  0.750  0.678  0.891  1.0
  P  P13  1  0.250  0.322  0.109  1.0
  O  O14  1  0.750  0.650  0.754  1.0
  O  O15  1  0.578  0.245  0.397  1.0
  O  O16  1  0.250  0.218  0.642  1.0
  O  O17  1  0.565  0.769  0.908  1.0
  O  O18  1  0.750  0.349  0.570  1.0
  O  O19  1  0.750  0.126  0.897  1.0
  O  O20  1  0.250  0.651  0.430  1.0
  O  O21  1  0.065  0.231  0.092  1.0
  O  O22  1  0.250  0.945  0.430  1.0
  O  O23  1  0.750  0.055  0.570  1.0
  O  O24  1  0.081  0.381  0.785  1.0
  O  O25  1  0.250  0.874  0.103  1.0
  O  O26  1  0.581  0.619  0.215  1.0
  O  O27  1  0.750  0.506  0.967  1.0
  O  O28  1  0.750  0.782  0.358  1.0
  O  O29  1  0.435  0.231  0.092  1.0
  O  O30  1  0.922  0.245  0.397  1.0
  O  O31  1  0.422  0.755  0.603  1.0
  O  O32  1  0.419  0.381  0.785  1.0
  O  O33  1  0.250  0.350  0.246  1.0
  O  O34  1  0.750  0.885  0.135  1.0
  O  O35  1  0.250  0.115  0.865  1.0
  O  O36  1  0.919  0.619  0.215  1.0
  O  O37  1  0.935  0.769  0.908  1.0
  O  O38  1  0.078  0.755  0.603  1.0
  O  O39  1  0.250  0.494  0.033  1.0
[/CIF]
.
The compound described by CaBi3P3O13 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 Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra,  a cornercorner with one Bi(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Bi site, Bi(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form distorted BiO5 square pyramids that share  a cornercorner with one Bi(1)O6 octahedra,  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. The corner-sharing octahedral tilt angles are 62°. In the third Bi site, Bi(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Bi(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. 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 Bi(1)O6 octahedra and corners with three equivalent Bi(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 41°. 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 Bi(1)O6 octahedra, corners with two equivalent Bi(3)O6 octahedra, and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-51°. 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 Bi(3)O6 octahedra,  a cornercorner with one Bi(2)O5 square pyramid, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted single-bond geometry to two equivalent Bi(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(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 Bi(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted linear geometry to one Bi(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Ca(1), one Bi(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Bi(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 Bi(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Bi(1), and one P(3) atom. is represented by the CIF file [CIF]
data_CaBi3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.131
_cell_length_b   8.472
_cell_length_c   11.112
_cell_angle_alpha   79.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   661.117
_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  0.382  0.182  1.0
  Ca  Ca1  1  0.250  0.618  0.818  1.0
  Bi  Bi2  1  0.250  0.643  0.222  1.0
  Bi  Bi3  1  0.750  0.357  0.778  1.0
  Bi  Bi4  1  0.250  0.203  0.440  1.0
  Bi  Bi5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.750  0.797  0.560  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.776  0.515  1.0
  P  P9  1  0.750  0.224  0.485  1.0
  P  P10  1  0.250  0.272  0.766  1.0
  P  P11  1  0.750  0.728  0.234  1.0
  P  P12  1  0.750  0.678  0.891  1.0
  P  P13  1  0.250  0.322  0.109  1.0
  O  O14  1  0.750  0.650  0.754  1.0
  O  O15  1  0.578  0.245  0.397  1.0
  O  O16  1  0.250  0.218  0.642  1.0
  O  O17  1  0.565  0.769  0.908  1.0
  O  O18  1  0.750  0.349  0.570  1.0
  O  O19  1  0.750  0.126  0.897  1.0
  O  O20  1  0.250  0.651  0.430  1.0
  O  O21  1  0.065  0.231  0.092  1.0
  O  O22  1  0.250  0.945  0.430  1.0
  O  O23  1  0.750  0.055  0.570  1.0
  O  O24  1  0.081  0.381  0.785  1.0
  O  O25  1  0.250  0.874  0.103  1.0
  O  O26  1  0.581  0.619  0.215  1.0
  O  O27  1  0.750  0.506  0.967  1.0
  O  O28  1  0.750  0.782  0.358  1.0
  O  O29  1  0.435  0.231  0.092  1.0
  O  O30  1  0.922  0.245  0.397  1.0
  O  O31  1  0.422  0.755  0.603  1.0
  O  O32  1  0.419  0.381  0.785  1.0
  O  O33  1  0.250  0.350  0.246  1.0
  O  O34  1  0.750  0.885  0.135  1.0
  O  O35  1  0.250  0.115  0.865  1.0
  O  O36  1  0.919  0.619  0.215  1.0
  O  O37  1  0.935  0.769  0.908  1.0
  O  O38  1  0.078  0.755  0.603  1.0
  O  O39  1  0.250  0.494  0.033  1.0
[/CIF]
.