The material structure described by Ca3V2(BiO6)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Ca(2)O7 pentagonal bipyramids, corners with two equivalent Bi(2)O6 pentagonal pyramids,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one V(1)O4 tetrahedra, and  a faceface with one Ca(3)O7 pentagonal bipyramid. In the second Ca site, Ca(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one Bi(2)O6 pentagonal pyramid,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Ca(3)O7 pentagonal bipyramids,  an edgeedge with one Bi(2)O6 pentagonal pyramid, and  an edgeedge with one V(2)O4 tetrahedra. In the third Ca site, Ca(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted CaO7 pentagonal bipyramids that share  a cornercorner with one Bi(2)O6 pentagonal pyramid,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ca(2)O7 pentagonal bipyramids,  an edgeedge with one Bi(2)O6 pentagonal pyramid,  an edgeedge with one V(1)O4 tetrahedra, and  a faceface with one Ca(1)O7 pentagonal bipyramid. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(2), one O(3), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ca(1)O7 pentagonal bipyramid,  a cornercorner with one Ca(3)O7 pentagonal bipyramid, corners with two equivalent Ca(2)O7 pentagonal bipyramids,  an edgeedge with one Ca(1)O7 pentagonal bipyramid, and  an edgeedge with one Ca(3)O7 pentagonal bipyramid. In the second V site, V(2) is bonded to one O(10), one O(11), one O(4), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Ca(2)O7 pentagonal bipyramid, corners with two equivalent Ca(1)O7 pentagonal bipyramids, corners with two equivalent Ca(3)O7 pentagonal bipyramids, corners with two equivalent Bi(2)O6 pentagonal pyramids, and  an edgeedge with one Ca(2)O7 pentagonal bipyramid. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(5), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded to one O(1), one O(10), one O(11), one O(5), one O(7), and one O(8) atom to form distorted BiO6 pentagonal pyramids that share  a cornercorner with one Ca(2)O7 pentagonal bipyramid,  a cornercorner with one Ca(3)O7 pentagonal bipyramid, corners with two equivalent Ca(1)O7 pentagonal bipyramids, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Ca(2)O7 pentagonal bipyramid, and  an edgeedge with one Ca(3)O7 pentagonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one Ca(3), one Bi(1), and one Bi(2) atom to form edge-sharing OCa2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(3), and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(2) atom. In the fifth O site, O(5) is bonded to one Ca(2), one Ca(3), one Bi(1), and one Bi(2) atom to form edge-sharing OCa2Bi2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Ca(3), and one V(1) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one V(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one V(2), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Ca(3), one V(2), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ca(3), one V(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3V2(BiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.499
_cell_length_b   7.254
_cell_length_c   7.578
_cell_angle_alpha   102.785
_cell_angle_beta   92.741
_cell_angle_gamma   90.098
_symmetry_Int_Tables_number   1
_cell_volume   294.425
_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  0.759  0.714  0.913  1.0
  Ca  Ca1  1  0.261  0.280  0.072  1.0
  Ca  Ca2  1  0.765  0.079  0.301  1.0
  V  V3  1  0.315  0.807  0.194  1.0
  V  V4  1  0.792  0.212  0.807  1.0
  Bi  Bi5  1  0.735  0.590  0.417  1.0
  Bi  Bi6  1  0.244  0.393  0.575  1.0
  O  O7  1  0.012  0.352  0.328  1.0
  O  O8  1  0.993  0.806  0.201  1.0
  O  O9  1  0.442  0.590  0.098  1.0
  O  O10  1  0.930  0.415  0.924  1.0
  O  O11  1  0.497  0.325  0.362  1.0
  O  O12  1  0.425  0.968  0.077  1.0
  O  O13  1  0.001  0.619  0.652  1.0
  O  O14  1  0.513  0.604  0.659  1.0
  O  O15  1  0.869  0.056  0.941  1.0
  O  O16  1  0.469  0.242  0.780  1.0
  O  O17  1  0.955  0.162  0.603  1.0
  O  O18  1  0.470  0.878  0.402  1.0
[/CIF]
.
The material structure described by Ca3V2(BiO6)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Ca(2)O7 pentagonal bipyramids, corners with two equivalent Bi(2)O6 pentagonal pyramids,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one V(1)O4 tetrahedra, and  a faceface with one Ca(3)O7 pentagonal bipyramid. In the second Ca site, Ca(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one Bi(2)O6 pentagonal pyramid,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Ca(3)O7 pentagonal bipyramids,  an edgeedge with one Bi(2)O6 pentagonal pyramid, and  an edgeedge with one V(2)O4 tetrahedra. In the third Ca site, Ca(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted CaO7 pentagonal bipyramids that share  a cornercorner with one Bi(2)O6 pentagonal pyramid,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ca(2)O7 pentagonal bipyramids,  an edgeedge with one Bi(2)O6 pentagonal pyramid,  an edgeedge with one V(1)O4 tetrahedra, and  a faceface with one Ca(1)O7 pentagonal bipyramid. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(2), one O(3), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ca(1)O7 pentagonal bipyramid,  a cornercorner with one Ca(3)O7 pentagonal bipyramid, corners with two equivalent Ca(2)O7 pentagonal bipyramids,  an edgeedge with one Ca(1)O7 pentagonal bipyramid, and  an edgeedge with one Ca(3)O7 pentagonal bipyramid. In the second V site, V(2) is bonded to one O(10), one O(11), one O(4), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Ca(2)O7 pentagonal bipyramid, corners with two equivalent Ca(1)O7 pentagonal bipyramids, corners with two equivalent Ca(3)O7 pentagonal bipyramids, corners with two equivalent Bi(2)O6 pentagonal pyramids, and  an edgeedge with one Ca(2)O7 pentagonal bipyramid. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(5), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded to one O(1), one O(10), one O(11), one O(5), one O(7), and one O(8) atom to form distorted BiO6 pentagonal pyramids that share  a cornercorner with one Ca(2)O7 pentagonal bipyramid,  a cornercorner with one Ca(3)O7 pentagonal bipyramid, corners with two equivalent Ca(1)O7 pentagonal bipyramids, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Ca(2)O7 pentagonal bipyramid, and  an edgeedge with one Ca(3)O7 pentagonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one Ca(3), one Bi(1), and one Bi(2) atom to form edge-sharing OCa2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(3), and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(2) atom. In the fifth O site, O(5) is bonded to one Ca(2), one Ca(3), one Bi(1), and one Bi(2) atom to form edge-sharing OCa2Bi2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Ca(3), and one V(1) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one V(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one V(2), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Ca(3), one V(2), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ca(3), one V(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3V2(BiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.499
_cell_length_b   7.254
_cell_length_c   7.578
_cell_angle_alpha   102.785
_cell_angle_beta   92.741
_cell_angle_gamma   90.098
_symmetry_Int_Tables_number   1
_cell_volume   294.425
_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  0.759  0.714  0.913  1.0
  Ca  Ca1  1  0.261  0.280  0.072  1.0
  Ca  Ca2  1  0.765  0.079  0.301  1.0
  V  V3  1  0.315  0.807  0.194  1.0
  V  V4  1  0.792  0.212  0.807  1.0
  Bi  Bi5  1  0.735  0.590  0.417  1.0
  Bi  Bi6  1  0.244  0.393  0.575  1.0
  O  O7  1  0.012  0.352  0.328  1.0
  O  O8  1  0.993  0.806  0.201  1.0
  O  O9  1  0.442  0.590  0.098  1.0
  O  O10  1  0.930  0.415  0.924  1.0
  O  O11  1  0.497  0.325  0.362  1.0
  O  O12  1  0.425  0.968  0.077  1.0
  O  O13  1  0.001  0.619  0.652  1.0
  O  O14  1  0.513  0.604  0.659  1.0
  O  O15  1  0.869  0.056  0.941  1.0
  O  O16  1  0.469  0.242  0.780  1.0
  O  O17  1  0.955  0.162  0.603  1.0
  O  O18  1  0.470  0.878  0.402  1.0
[/CIF]
.