The structure described by CaV3O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one V(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one V(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one V(2), and two equivalent V(1) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one V(2), and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_CaV3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   10.448
_cell_length_c   10.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   612.998
_cell_formula_units_Z   4
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  0.681  0.750  0.079  1.0
  Ca  Ca1  1  0.181  0.250  0.421  1.0
  Ca  Ca2  1  0.319  0.250  0.921  1.0
  Ca  Ca3  1  0.819  0.750  0.579  1.0
  V  V4  1  0.302  0.024  0.688  1.0
  V  V5  1  0.802  0.976  0.812  1.0
  V  V6  1  0.698  0.524  0.312  1.0
  V  V7  1  0.198  0.476  0.188  1.0
  V  V8  1  0.310  0.750  0.784  1.0
  V  V9  1  0.810  0.250  0.716  1.0
  V  V10  1  0.690  0.250  0.216  1.0
  V  V11  1  0.190  0.750  0.284  1.0
  V  V12  1  0.802  0.524  0.812  1.0
  V  V13  1  0.302  0.476  0.688  1.0
  V  V14  1  0.198  0.024  0.188  1.0
  V  V15  1  0.698  0.976  0.312  1.0
  O  O16  1  0.933  0.119  0.278  1.0
  O  O17  1  0.433  0.881  0.222  1.0
  O  O18  1  0.067  0.619  0.722  1.0
  O  O19  1  0.567  0.381  0.778  1.0
  O  O20  1  0.067  0.881  0.722  1.0
  O  O21  1  0.567  0.119  0.778  1.0
  O  O22  1  0.933  0.381  0.278  1.0
  O  O23  1  0.433  0.619  0.222  1.0
  O  O24  1  0.457  0.119  0.283  1.0
  O  O25  1  0.957  0.881  0.217  1.0
  O  O26  1  0.543  0.619  0.717  1.0
  O  O27  1  0.043  0.381  0.783  1.0
  O  O28  1  0.543  0.881  0.717  1.0
  O  O29  1  0.043  0.119  0.783  1.0
  O  O30  1  0.457  0.381  0.283  1.0
  O  O31  1  0.957  0.619  0.217  1.0
  O  O32  1  0.176  0.750  0.436  1.0
  O  O33  1  0.676  0.250  0.064  1.0
  O  O34  1  0.824  0.250  0.564  1.0
  O  O35  1  0.324  0.750  0.936  1.0
  O  O36  1  0.217  0.423  0.045  1.0
  O  O37  1  0.717  0.577  0.455  1.0
  O  O38  1  0.783  0.923  0.955  1.0
  O  O39  1  0.283  0.077  0.545  1.0
  O  O40  1  0.783  0.577  0.955  1.0
  O  O41  1  0.283  0.423  0.545  1.0
  O  O42  1  0.217  0.077  0.045  1.0
  O  O43  1  0.717  0.923  0.455  1.0
[/CIF]
.
The structure described by CaV3O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one V(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one V(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one V(2), and two equivalent V(1) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one V(2), and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_CaV3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   10.448
_cell_length_c   10.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   612.998
_cell_formula_units_Z   4
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  0.681  0.750  0.079  1.0
  Ca  Ca1  1  0.181  0.250  0.421  1.0
  Ca  Ca2  1  0.319  0.250  0.921  1.0
  Ca  Ca3  1  0.819  0.750  0.579  1.0
  V  V4  1  0.302  0.024  0.688  1.0
  V  V5  1  0.802  0.976  0.812  1.0
  V  V6  1  0.698  0.524  0.312  1.0
  V  V7  1  0.198  0.476  0.188  1.0
  V  V8  1  0.310  0.750  0.784  1.0
  V  V9  1  0.810  0.250  0.716  1.0
  V  V10  1  0.690  0.250  0.216  1.0
  V  V11  1  0.190  0.750  0.284  1.0
  V  V12  1  0.802  0.524  0.812  1.0
  V  V13  1  0.302  0.476  0.688  1.0
  V  V14  1  0.198  0.024  0.188  1.0
  V  V15  1  0.698  0.976  0.312  1.0
  O  O16  1  0.933  0.119  0.278  1.0
  O  O17  1  0.433  0.881  0.222  1.0
  O  O18  1  0.067  0.619  0.722  1.0
  O  O19  1  0.567  0.381  0.778  1.0
  O  O20  1  0.067  0.881  0.722  1.0
  O  O21  1  0.567  0.119  0.778  1.0
  O  O22  1  0.933  0.381  0.278  1.0
  O  O23  1  0.433  0.619  0.222  1.0
  O  O24  1  0.457  0.119  0.283  1.0
  O  O25  1  0.957  0.881  0.217  1.0
  O  O26  1  0.543  0.619  0.717  1.0
  O  O27  1  0.043  0.381  0.783  1.0
  O  O28  1  0.543  0.881  0.717  1.0
  O  O29  1  0.043  0.119  0.783  1.0
  O  O30  1  0.457  0.381  0.283  1.0
  O  O31  1  0.957  0.619  0.217  1.0
  O  O32  1  0.176  0.750  0.436  1.0
  O  O33  1  0.676  0.250  0.064  1.0
  O  O34  1  0.824  0.250  0.564  1.0
  O  O35  1  0.324  0.750  0.936  1.0
  O  O36  1  0.217  0.423  0.045  1.0
  O  O37  1  0.717  0.577  0.455  1.0
  O  O38  1  0.783  0.923  0.955  1.0
  O  O39  1  0.283  0.077  0.545  1.0
  O  O40  1  0.783  0.577  0.955  1.0
  O  O41  1  0.283  0.423  0.545  1.0
  O  O42  1  0.217  0.077  0.045  1.0
  O  O43  1  0.717  0.923  0.455  1.0
[/CIF]
.