The material described by CaV4O15 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(15), one O(3), one O(4), one O(6), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(2), one O(7), one O(8), and one O(9) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(2)O4 tetrahedra and corners with two equivalent V(4)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(10), one O(14), and one O(7) atom to form distorted corner-sharing VO4 tetrahedra. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(14), one O(2), and one O(7) atom. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(13), one O(14), and one O(8) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(2)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one O(6) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ca(1) and one O(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one O(15) and one O(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one O(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(1) and one V(4) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Ca(1) and one V(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one V(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one V(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Ca(1) and one V(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Ca(1) and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaV4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.322
_cell_length_b   6.316
_cell_length_c   9.593
_cell_angle_alpha   95.403
_cell_angle_beta   110.133
_cell_angle_gamma   75.246
_symmetry_Int_Tables_number   1
_cell_volume   347.756
_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  0.264  0.749  0.498  1.0
  V  V1  1  0.901  0.719  0.078  1.0
  V  V2  1  0.139  0.252  0.941  1.0
  V  V3  1  0.713  0.301  0.082  1.0
  V  V4  1  0.302  0.693  0.913  1.0
  O  O5  1  0.277  0.977  0.988  1.0
  O  O6  1  0.769  0.025  0.030  1.0
  O  O7  1  0.411  0.311  0.521  1.0
  O  O8  1  0.658  0.704  0.524  1.0
  O  O9  1  0.663  0.866  0.439  1.0
  O  O10  1  0.296  0.169  0.474  1.0
  O  O11  1  0.992  0.366  0.075  1.0
  O  O12  1  0.029  0.682  0.922  1.0
  O  O13  1  0.077  0.733  0.253  1.0
  O  O14  1  0.961  0.258  0.773  1.0
  O  O15  1  0.731  0.311  0.254  1.0
  O  O16  1  0.289  0.701  0.739  1.0
  O  O17  1  0.616  0.633  0.035  1.0
  O  O18  1  0.387  0.368  0.955  1.0
  O  O19  1  0.855  0.937  0.488  1.0
[/CIF]
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The material described by CaV4O15 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(15), one O(3), one O(4), one O(6), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(2), one O(7), one O(8), and one O(9) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(2)O4 tetrahedra and corners with two equivalent V(4)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(10), one O(14), and one O(7) atom to form distorted corner-sharing VO4 tetrahedra. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(14), one O(2), and one O(7) atom. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(13), one O(14), and one O(8) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(2)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one O(6) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ca(1) and one O(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one O(15) and one O(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one O(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(1) and one V(4) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Ca(1) and one V(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one V(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one V(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Ca(1) and one V(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Ca(1) and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaV4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.322
_cell_length_b   6.316
_cell_length_c   9.593
_cell_angle_alpha   95.403
_cell_angle_beta   110.133
_cell_angle_gamma   75.246
_symmetry_Int_Tables_number   1
_cell_volume   347.756
_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  0.264  0.749  0.498  1.0
  V  V1  1  0.901  0.719  0.078  1.0
  V  V2  1  0.139  0.252  0.941  1.0
  V  V3  1  0.713  0.301  0.082  1.0
  V  V4  1  0.302  0.693  0.913  1.0
  O  O5  1  0.277  0.977  0.988  1.0
  O  O6  1  0.769  0.025  0.030  1.0
  O  O7  1  0.411  0.311  0.521  1.0
  O  O8  1  0.658  0.704  0.524  1.0
  O  O9  1  0.663  0.866  0.439  1.0
  O  O10  1  0.296  0.169  0.474  1.0
  O  O11  1  0.992  0.366  0.075  1.0
  O  O12  1  0.029  0.682  0.922  1.0
  O  O13  1  0.077  0.733  0.253  1.0
  O  O14  1  0.961  0.258  0.773  1.0
  O  O15  1  0.731  0.311  0.254  1.0
  O  O16  1  0.289  0.701  0.739  1.0
  O  O17  1  0.616  0.633  0.035  1.0
  O  O18  1  0.387  0.368  0.955  1.0
  O  O19  1  0.855  0.937  0.488  1.0
[/CIF]
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