The material described by Ca5V3O13 crystallizes in the hexagonal P6_3/m space group. There are two 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(2), and three equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), and four equivalent O(3) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to three equivalent Ca(2) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), two equivalent Ca(1), and one V(1) atom. In the third O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and one V(1) atom to form distorted edge-sharing OCa3V tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent Ca(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5V3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.928
_cell_length_b   9.928
_cell_length_c   7.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   601.047
_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  0.333  0.667  0.498  1.0
  Ca  Ca1  1  0.667  0.333  0.998  1.0
  Ca  Ca2  1  0.667  0.333  0.502  1.0
  Ca  Ca3  1  0.333  0.667  0.002  1.0
  Ca  Ca4  1  0.755  0.751  0.250  1.0
  Ca  Ca5  1  0.996  0.245  0.250  1.0
  Ca  Ca6  1  0.249  0.004  0.250  1.0
  Ca  Ca7  1  0.245  0.249  0.750  1.0
  Ca  Ca8  1  0.004  0.755  0.750  1.0
  Ca  Ca9  1  0.751  0.996  0.750  1.0
  V  V10  1  0.971  0.600  0.250  1.0
  V  V11  1  0.630  0.029  0.250  1.0
  V  V12  1  0.400  0.370  0.250  1.0
  V  V13  1  0.029  0.400  0.750  1.0
  V  V14  1  0.370  0.971  0.750  1.0
  V  V15  1  0.600  0.630  0.750  1.0
  O  O16  1  0.170  0.675  0.250  1.0
  O  O17  1  0.505  0.830  0.250  1.0
  O  O18  1  0.325  0.495  0.250  1.0
  O  O19  1  0.830  0.325  0.750  1.0
  O  O20  1  0.495  0.170  0.750  1.0
  O  O21  1  0.675  0.505  0.750  1.0
  O  O22  1  0.866  0.395  0.250  1.0
  O  O23  1  0.529  0.134  0.250  1.0
  O  O24  1  0.605  0.471  0.250  1.0
  O  O25  1  0.134  0.605  0.750  1.0
  O  O26  1  0.471  0.866  0.750  1.0
  O  O27  1  0.395  0.529  0.750  1.0
  O  O28  1  0.910  0.662  0.445  1.0
  O  O29  1  0.752  0.090  0.445  1.0
  O  O30  1  0.338  0.248  0.445  1.0
  O  O31  1  0.090  0.338  0.945  1.0
  O  O32  1  0.248  0.910  0.945  1.0
  O  O33  1  0.662  0.752  0.945  1.0
  O  O34  1  0.090  0.338  0.555  1.0
  O  O35  1  0.248  0.910  0.555  1.0
  O  O36  1  0.662  0.752  0.555  1.0
  O  O37  1  0.910  0.662  0.055  1.0
  O  O38  1  0.752  0.090  0.055  1.0
  O  O39  1  0.338  0.248  0.055  1.0
  O  O40  1  0.000  0.000  0.250  1.0
  O  O41  1  0.000  0.000  0.750  1.0
[/CIF]
.
The material described by Ca5V3O13 crystallizes in the hexagonal P6_3/m space group. There are two 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(2), and three equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), and four equivalent O(3) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to three equivalent Ca(2) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), two equivalent Ca(1), and one V(1) atom. In the third O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and one V(1) atom to form distorted edge-sharing OCa3V tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent Ca(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5V3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.928
_cell_length_b   9.928
_cell_length_c   7.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   601.047
_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  0.333  0.667  0.498  1.0
  Ca  Ca1  1  0.667  0.333  0.998  1.0
  Ca  Ca2  1  0.667  0.333  0.502  1.0
  Ca  Ca3  1  0.333  0.667  0.002  1.0
  Ca  Ca4  1  0.755  0.751  0.250  1.0
  Ca  Ca5  1  0.996  0.245  0.250  1.0
  Ca  Ca6  1  0.249  0.004  0.250  1.0
  Ca  Ca7  1  0.245  0.249  0.750  1.0
  Ca  Ca8  1  0.004  0.755  0.750  1.0
  Ca  Ca9  1  0.751  0.996  0.750  1.0
  V  V10  1  0.971  0.600  0.250  1.0
  V  V11  1  0.630  0.029  0.250  1.0
  V  V12  1  0.400  0.370  0.250  1.0
  V  V13  1  0.029  0.400  0.750  1.0
  V  V14  1  0.370  0.971  0.750  1.0
  V  V15  1  0.600  0.630  0.750  1.0
  O  O16  1  0.170  0.675  0.250  1.0
  O  O17  1  0.505  0.830  0.250  1.0
  O  O18  1  0.325  0.495  0.250  1.0
  O  O19  1  0.830  0.325  0.750  1.0
  O  O20  1  0.495  0.170  0.750  1.0
  O  O21  1  0.675  0.505  0.750  1.0
  O  O22  1  0.866  0.395  0.250  1.0
  O  O23  1  0.529  0.134  0.250  1.0
  O  O24  1  0.605  0.471  0.250  1.0
  O  O25  1  0.134  0.605  0.750  1.0
  O  O26  1  0.471  0.866  0.750  1.0
  O  O27  1  0.395  0.529  0.750  1.0
  O  O28  1  0.910  0.662  0.445  1.0
  O  O29  1  0.752  0.090  0.445  1.0
  O  O30  1  0.338  0.248  0.445  1.0
  O  O31  1  0.090  0.338  0.945  1.0
  O  O32  1  0.248  0.910  0.945  1.0
  O  O33  1  0.662  0.752  0.945  1.0
  O  O34  1  0.090  0.338  0.555  1.0
  O  O35  1  0.248  0.910  0.555  1.0
  O  O36  1  0.662  0.752  0.555  1.0
  O  O37  1  0.910  0.662  0.055  1.0
  O  O38  1  0.752  0.090  0.055  1.0
  O  O39  1  0.338  0.248  0.055  1.0
  O  O40  1  0.000  0.000  0.250  1.0
  O  O41  1  0.000  0.000  0.750  1.0
[/CIF]
.