The material described by Ca4Bi6O13 crystallizes in the monoclinic Pm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Ca(2)O7 pentagonal bipyramids,  a cornercorner with one Bi(2)O5 square pyramid,  a cornercorner with one Bi(3)O5 square pyramid, edges with two equivalent Ca(1)O7 pentagonal bipyramids,  an edgeedge with one Bi(1)O5 square pyramid,  an edgeedge with one Bi(2)O5 square pyramid,  an edgeedge with one Bi(3)O5 square pyramid, and faces with two equivalent Ca(2)O7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one Bi(1)O5 square pyramid, edges with two equivalent Ca(2)O7 pentagonal bipyramids,  an edgeedge with one Bi(1)O5 square pyramid,  an edgeedge with one Bi(2)O5 square pyramid,  an edgeedge with one Bi(3)O5 square pyramid, and faces with two equivalent Ca(1)O7 pentagonal bipyramids. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(3), two equivalent O(6), and two equivalent O(8) atoms to form BiO5 square pyramids that share corners with two equivalent Ca(2)O7 pentagonal bipyramids, edges with two equivalent Ca(1)O7 pentagonal bipyramids, and edges with two equivalent Ca(2)O7 pentagonal bipyramids. In the second Bi site, Bi(2) is bonded to one O(4), two equivalent O(5), and two equivalent O(7) atoms to form BiO5 square pyramids that share corners with two equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Ca(2)O7 pentagonal bipyramids, and edges with two equivalent Bi(3)O5 square pyramids. In the third Bi site, Bi(3) is bonded to one O(1), two equivalent O(5), and two equivalent O(7) atoms to form distorted BiO5 square pyramids that share corners with two equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Ca(2)O7 pentagonal bipyramids, and edges with two equivalent Bi(2)O5 square pyramids. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(2), one O(9), two equivalent O(6), and two equivalent O(8) atoms. In the fifth Bi site, Bi(5) is bonded in a distorted trigonal non-coplanar geometry to one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Bi(3) atom to form distorted OCa4Bi trigonal bipyramids that share corners with four equivalent O(3)Ca4Bi square pyramids, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, edges with two equivalent O(4)Ca4Bi square pyramids, edges with two equivalent O(2)Ca4Bi trigonal bipyramids, edges with two equivalent O(5)Ca2Bi2 trigonal pyramids, and edges with two equivalent O(6)Ca2Bi2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Bi(4) atom to form distorted OCa4Bi trigonal bipyramids that share corners with four equivalent O(4)Ca4Bi square pyramids, corners with two equivalent O(6)Ca2Bi2 trigonal pyramids, edges with two equivalent O(3)Ca4Bi square pyramids, edges with two equivalent O(1)Ca4Bi trigonal bipyramids, edges with two equivalent O(5)Ca2Bi2 trigonal pyramids, and edges with two equivalent O(6)Ca2Bi2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Bi(1) atom to form distorted OCa4Bi square pyramids that share corners with four equivalent O(1)Ca4Bi trigonal bipyramids, corners with two equivalent O(6)Ca2Bi2 trigonal pyramids, edges with two equivalent O(4)Ca4Bi square pyramids, edges with two equivalent O(2)Ca4Bi trigonal bipyramids, edges with two equivalent O(5)Ca2Bi2 trigonal pyramids, and edges with two equivalent O(6)Ca2Bi2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Bi(2) atom to form distorted OCa4Bi square pyramids that share corners with four equivalent O(2)Ca4Bi trigonal bipyramids, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, edges with two equivalent O(3)Ca4Bi square pyramids, edges with two equivalent O(1)Ca4Bi trigonal bipyramids, edges with two equivalent O(5)Ca2Bi2 trigonal pyramids, and edges with two equivalent O(6)Ca2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Bi(2), and one Bi(3) atom to form OCa2Bi2 trigonal pyramids that share  a cornercorner with one O(4)Ca4Bi square pyramid,  a cornercorner with one O(1)Ca4Bi trigonal bipyramid, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, corners with two equivalent O(6)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(3)Ca4Bi square pyramid,  an edgeedge with one O(4)Ca4Bi square pyramid,  an edgeedge with one O(1)Ca4Bi trigonal bipyramid, and  an edgeedge with one O(2)Ca4Bi trigonal bipyramid. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one Bi(1), and one Bi(4) atom to form OCa2Bi2 trigonal pyramids that share  a cornercorner with one O(3)Ca4Bi square pyramid,  a cornercorner with one O(2)Ca4Bi trigonal bipyramid, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, corners with two equivalent O(6)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(3)Ca4Bi square pyramid,  an edgeedge with one O(4)Ca4Bi square pyramid,  an edgeedge with one O(1)Ca4Bi trigonal bipyramid, and  an edgeedge with one O(2)Ca4Bi trigonal bipyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Bi(2), one Bi(3), and one Bi(5) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Bi(1), one Bi(4), and one Bi(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Bi(4) and two equivalent Bi(5) atoms. is represented by the CIF card [CIF]
data_Ca4Bi6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.303
_cell_length_b   6.003
_cell_length_c   9.336
_cell_angle_alpha   71.315
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   387.703
_cell_formula_units_Z   1
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  0.747  0.651  0.570  1.0
  Ca  Ca1  1  0.253  0.221  0.429  1.0
  Ca  Ca2  1  0.253  0.651  0.570  1.0
  Ca  Ca3  1  0.747  0.221  0.429  1.0
  Bi  Bi4  1  0.000  0.881  0.227  1.0
  Bi  Bi5  1  0.000  0.107  0.773  1.0
  Bi  Bi6  1  0.500  0.099  0.777  1.0
  Bi  Bi7  1  0.500  0.871  0.223  1.0
  Bi  Bi8  1  0.772  0.506  0.001  1.0
  Bi  Bi9  1  0.228  0.506  0.001  1.0
  O  O10  1  0.500  0.370  0.564  1.0
  O  O11  1  0.500  0.934  0.436  1.0
  O  O12  1  0.000  0.923  0.443  1.0
  O  O13  1  0.000  0.365  0.558  1.0
  O  O14  1  0.746  0.939  0.697  1.0
  O  O15  1  0.255  0.636  0.305  1.0
  O  O16  1  0.254  0.939  0.697  1.0
  O  O17  1  0.745  0.636  0.305  1.0
  O  O18  1  0.762  0.363  0.821  1.0
  O  O19  1  0.231  0.182  0.180  1.0
  O  O20  1  0.238  0.363  0.821  1.0
  O  O21  1  0.769  0.182  0.180  1.0
  O  O22  1  0.500  0.606  0.020  1.0
[/CIF]
.
The material described by Ca4Bi6O13 crystallizes in the monoclinic Pm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Ca(2)O7 pentagonal bipyramids,  a cornercorner with one Bi(2)O5 square pyramid,  a cornercorner with one Bi(3)O5 square pyramid, edges with two equivalent Ca(1)O7 pentagonal bipyramids,  an edgeedge with one Bi(1)O5 square pyramid,  an edgeedge with one Bi(2)O5 square pyramid,  an edgeedge with one Bi(3)O5 square pyramid, and faces with two equivalent Ca(2)O7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one Bi(1)O5 square pyramid, edges with two equivalent Ca(2)O7 pentagonal bipyramids,  an edgeedge with one Bi(1)O5 square pyramid,  an edgeedge with one Bi(2)O5 square pyramid,  an edgeedge with one Bi(3)O5 square pyramid, and faces with two equivalent Ca(1)O7 pentagonal bipyramids. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(3), two equivalent O(6), and two equivalent O(8) atoms to form BiO5 square pyramids that share corners with two equivalent Ca(2)O7 pentagonal bipyramids, edges with two equivalent Ca(1)O7 pentagonal bipyramids, and edges with two equivalent Ca(2)O7 pentagonal bipyramids. In the second Bi site, Bi(2) is bonded to one O(4), two equivalent O(5), and two equivalent O(7) atoms to form BiO5 square pyramids that share corners with two equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Ca(2)O7 pentagonal bipyramids, and edges with two equivalent Bi(3)O5 square pyramids. In the third Bi site, Bi(3) is bonded to one O(1), two equivalent O(5), and two equivalent O(7) atoms to form distorted BiO5 square pyramids that share corners with two equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Ca(2)O7 pentagonal bipyramids, and edges with two equivalent Bi(2)O5 square pyramids. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(2), one O(9), two equivalent O(6), and two equivalent O(8) atoms. In the fifth Bi site, Bi(5) is bonded in a distorted trigonal non-coplanar geometry to one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Bi(3) atom to form distorted OCa4Bi trigonal bipyramids that share corners with four equivalent O(3)Ca4Bi square pyramids, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, edges with two equivalent O(4)Ca4Bi square pyramids, edges with two equivalent O(2)Ca4Bi trigonal bipyramids, edges with two equivalent O(5)Ca2Bi2 trigonal pyramids, and edges with two equivalent O(6)Ca2Bi2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Bi(4) atom to form distorted OCa4Bi trigonal bipyramids that share corners with four equivalent O(4)Ca4Bi square pyramids, corners with two equivalent O(6)Ca2Bi2 trigonal pyramids, edges with two equivalent O(3)Ca4Bi square pyramids, edges with two equivalent O(1)Ca4Bi trigonal bipyramids, edges with two equivalent O(5)Ca2Bi2 trigonal pyramids, and edges with two equivalent O(6)Ca2Bi2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Bi(1) atom to form distorted OCa4Bi square pyramids that share corners with four equivalent O(1)Ca4Bi trigonal bipyramids, corners with two equivalent O(6)Ca2Bi2 trigonal pyramids, edges with two equivalent O(4)Ca4Bi square pyramids, edges with two equivalent O(2)Ca4Bi trigonal bipyramids, edges with two equivalent O(5)Ca2Bi2 trigonal pyramids, and edges with two equivalent O(6)Ca2Bi2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Bi(2) atom to form distorted OCa4Bi square pyramids that share corners with four equivalent O(2)Ca4Bi trigonal bipyramids, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, edges with two equivalent O(3)Ca4Bi square pyramids, edges with two equivalent O(1)Ca4Bi trigonal bipyramids, edges with two equivalent O(5)Ca2Bi2 trigonal pyramids, and edges with two equivalent O(6)Ca2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Bi(2), and one Bi(3) atom to form OCa2Bi2 trigonal pyramids that share  a cornercorner with one O(4)Ca4Bi square pyramid,  a cornercorner with one O(1)Ca4Bi trigonal bipyramid, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, corners with two equivalent O(6)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(3)Ca4Bi square pyramid,  an edgeedge with one O(4)Ca4Bi square pyramid,  an edgeedge with one O(1)Ca4Bi trigonal bipyramid, and  an edgeedge with one O(2)Ca4Bi trigonal bipyramid. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one Bi(1), and one Bi(4) atom to form OCa2Bi2 trigonal pyramids that share  a cornercorner with one O(3)Ca4Bi square pyramid,  a cornercorner with one O(2)Ca4Bi trigonal bipyramid, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, corners with two equivalent O(6)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(3)Ca4Bi square pyramid,  an edgeedge with one O(4)Ca4Bi square pyramid,  an edgeedge with one O(1)Ca4Bi trigonal bipyramid, and  an edgeedge with one O(2)Ca4Bi trigonal bipyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Bi(2), one Bi(3), and one Bi(5) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Bi(1), one Bi(4), and one Bi(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Bi(4) and two equivalent Bi(5) atoms. is represented by the CIF card [CIF]
data_Ca4Bi6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.303
_cell_length_b   6.003
_cell_length_c   9.336
_cell_angle_alpha   71.315
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   387.703
_cell_formula_units_Z   1
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  0.747  0.651  0.570  1.0
  Ca  Ca1  1  0.253  0.221  0.429  1.0
  Ca  Ca2  1  0.253  0.651  0.570  1.0
  Ca  Ca3  1  0.747  0.221  0.429  1.0
  Bi  Bi4  1  0.000  0.881  0.227  1.0
  Bi  Bi5  1  0.000  0.107  0.773  1.0
  Bi  Bi6  1  0.500  0.099  0.777  1.0
  Bi  Bi7  1  0.500  0.871  0.223  1.0
  Bi  Bi8  1  0.772  0.506  0.001  1.0
  Bi  Bi9  1  0.228  0.506  0.001  1.0
  O  O10  1  0.500  0.370  0.564  1.0
  O  O11  1  0.500  0.934  0.436  1.0
  O  O12  1  0.000  0.923  0.443  1.0
  O  O13  1  0.000  0.365  0.558  1.0
  O  O14  1  0.746  0.939  0.697  1.0
  O  O15  1  0.255  0.636  0.305  1.0
  O  O16  1  0.254  0.939  0.697  1.0
  O  O17  1  0.745  0.636  0.305  1.0
  O  O18  1  0.762  0.363  0.821  1.0
  O  O19  1  0.231  0.182  0.180  1.0
  O  O20  1  0.238  0.363  0.821  1.0
  O  O21  1  0.769  0.182  0.180  1.0
  O  O22  1  0.500  0.606  0.020  1.0
[/CIF]
.