The compound described by Ca5V3O13 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. In the third Ca site, Ca(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted CaO6 pentagonal pyramids that share corners with six equivalent Ca(3)O6 pentagonal pyramids, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Ca(3)O6 pentagonal pyramids and  an edgeedge with one Ca(3)O6 pentagonal pyramid. There are five inequivalent O sites. In the first O site, O(4) is bonded to one Ca(1), one Ca(2), one Ca(3), and one V(1) atom to form distorted edge-sharing OCa3V tetrahedra. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Ca(3) atoms. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(3), and one V(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(3) and one V(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Ca5V3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.015
_cell_length_b   10.015
_cell_length_c   6.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   604.309
_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  0.667  0.333  0.206  1.0
  Ca  Ca1  1  0.333  0.667  0.706  1.0
  Ca  Ca2  1  0.667  0.333  0.712  1.0
  Ca  Ca3  1  0.333  0.667  0.212  1.0
  Ca  Ca4  1  0.748  0.986  0.959  1.0
  Ca  Ca5  1  0.238  0.252  0.959  1.0
  Ca  Ca6  1  0.252  0.014  0.459  1.0
  Ca  Ca7  1  0.014  0.762  0.959  1.0
  Ca  Ca8  1  0.762  0.748  0.459  1.0
  Ca  Ca9  1  0.986  0.238  0.459  1.0
  V  V10  1  0.598  0.627  0.958  1.0
  V  V11  1  0.029  0.402  0.958  1.0
  V  V12  1  0.402  0.373  0.458  1.0
  V  V13  1  0.373  0.971  0.958  1.0
  V  V14  1  0.971  0.598  0.458  1.0
  V  V15  1  0.627  0.029  0.458  1.0
  O  O16  1  0.657  0.748  0.760  1.0
  O  O17  1  0.091  0.343  0.760  1.0
  O  O18  1  0.343  0.252  0.260  1.0
  O  O19  1  0.252  0.909  0.760  1.0
  O  O20  1  0.909  0.657  0.260  1.0
  O  O21  1  0.748  0.091  0.260  1.0
  O  O22  1  0.753  0.084  0.652  1.0
  O  O23  1  0.331  0.247  0.652  1.0
  O  O24  1  0.247  0.916  0.152  1.0
  O  O25  1  0.916  0.669  0.652  1.0
  O  O26  1  0.669  0.753  0.152  1.0
  O  O27  1  0.084  0.331  0.152  1.0
  O  O28  1  0.832  0.333  0.956  1.0
  O  O29  1  0.500  0.168  0.956  1.0
  O  O30  1  0.168  0.667  0.456  1.0
  O  O31  1  0.667  0.500  0.956  1.0
  O  O32  1  0.500  0.832  0.456  1.0
  O  O33  1  0.333  0.500  0.456  1.0
  O  O34  1  0.395  0.532  0.964  1.0
  O  O35  1  0.136  0.605  0.964  1.0
  O  O36  1  0.605  0.468  0.464  1.0
  O  O37  1  0.468  0.864  0.964  1.0
  O  O38  1  0.864  0.395  0.464  1.0
  O  O39  1  0.532  0.136  0.464  1.0
  O  O40  1  0.000  0.000  0.958  1.0
  O  O41  1  0.000  0.000  0.458  1.0
[/CIF]
.
The compound described by Ca5V3O13 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. In the third Ca site, Ca(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted CaO6 pentagonal pyramids that share corners with six equivalent Ca(3)O6 pentagonal pyramids, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Ca(3)O6 pentagonal pyramids and  an edgeedge with one Ca(3)O6 pentagonal pyramid. There are five inequivalent O sites. In the first O site, O(4) is bonded to one Ca(1), one Ca(2), one Ca(3), and one V(1) atom to form distorted edge-sharing OCa3V tetrahedra. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Ca(3) atoms. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(3), and one V(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(3) and one V(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Ca5V3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.015
_cell_length_b   10.015
_cell_length_c   6.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   604.309
_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  0.667  0.333  0.206  1.0
  Ca  Ca1  1  0.333  0.667  0.706  1.0
  Ca  Ca2  1  0.667  0.333  0.712  1.0
  Ca  Ca3  1  0.333  0.667  0.212  1.0
  Ca  Ca4  1  0.748  0.986  0.959  1.0
  Ca  Ca5  1  0.238  0.252  0.959  1.0
  Ca  Ca6  1  0.252  0.014  0.459  1.0
  Ca  Ca7  1  0.014  0.762  0.959  1.0
  Ca  Ca8  1  0.762  0.748  0.459  1.0
  Ca  Ca9  1  0.986  0.238  0.459  1.0
  V  V10  1  0.598  0.627  0.958  1.0
  V  V11  1  0.029  0.402  0.958  1.0
  V  V12  1  0.402  0.373  0.458  1.0
  V  V13  1  0.373  0.971  0.958  1.0
  V  V14  1  0.971  0.598  0.458  1.0
  V  V15  1  0.627  0.029  0.458  1.0
  O  O16  1  0.657  0.748  0.760  1.0
  O  O17  1  0.091  0.343  0.760  1.0
  O  O18  1  0.343  0.252  0.260  1.0
  O  O19  1  0.252  0.909  0.760  1.0
  O  O20  1  0.909  0.657  0.260  1.0
  O  O21  1  0.748  0.091  0.260  1.0
  O  O22  1  0.753  0.084  0.652  1.0
  O  O23  1  0.331  0.247  0.652  1.0
  O  O24  1  0.247  0.916  0.152  1.0
  O  O25  1  0.916  0.669  0.652  1.0
  O  O26  1  0.669  0.753  0.152  1.0
  O  O27  1  0.084  0.331  0.152  1.0
  O  O28  1  0.832  0.333  0.956  1.0
  O  O29  1  0.500  0.168  0.956  1.0
  O  O30  1  0.168  0.667  0.456  1.0
  O  O31  1  0.667  0.500  0.956  1.0
  O  O32  1  0.500  0.832  0.456  1.0
  O  O33  1  0.333  0.500  0.456  1.0
  O  O34  1  0.395  0.532  0.964  1.0
  O  O35  1  0.136  0.605  0.964  1.0
  O  O36  1  0.605  0.468  0.464  1.0
  O  O37  1  0.468  0.864  0.964  1.0
  O  O38  1  0.864  0.395  0.464  1.0
  O  O39  1  0.532  0.136  0.464  1.0
  O  O40  1  0.000  0.000  0.958  1.0
  O  O41  1  0.000  0.000  0.458  1.0
[/CIF]
.