The material structure described by KV2SeO7 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(5), and four equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing VO6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-19°. Se(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded to two equivalent K(1), one V(1), and one Se(1) atom to form a mixture of distorted edge and corner-sharing OK2VSe tetrahedra. In the second O site, O(5) is bonded in a distorted single-bond geometry to three equivalent K(1) and one V(1) atom. In the third O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(2) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one V(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_KV2SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   6.992
_cell_length_c   17.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.620
_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
  K  K0  1  0.250  0.243  0.964  1.0
  K  K1  1  0.250  0.257  0.464  1.0
  K  K2  1  0.750  0.757  0.036  1.0
  K  K3  1  0.750  0.743  0.536  1.0
  V  V4  1  0.250  0.724  0.884  1.0
  V  V5  1  0.250  0.776  0.384  1.0
  V  V6  1  0.750  0.276  0.116  1.0
  V  V7  1  0.750  0.224  0.616  1.0
  V  V8  1  0.250  0.940  0.688  1.0
  V  V9  1  0.250  0.560  0.188  1.0
  V  V10  1  0.750  0.060  0.312  1.0
  V  V11  1  0.750  0.440  0.812  1.0
  Se  Se12  1  0.250  0.470  0.649  1.0
  Se  Se13  1  0.250  0.030  0.149  1.0
  Se  Se14  1  0.750  0.530  0.351  1.0
  Se  Se15  1  0.750  0.970  0.851  1.0
  O  O16  1  0.250  0.889  0.779  1.0
  O  O17  1  0.250  0.611  0.279  1.0
  O  O18  1  0.750  0.111  0.221  1.0
  O  O19  1  0.750  0.389  0.721  1.0
  O  O20  1  0.995  0.067  0.665  1.0
  O  O21  1  0.505  0.433  0.165  1.0
  O  O22  1  0.495  0.933  0.335  1.0
  O  O23  1  0.005  0.567  0.835  1.0
  O  O24  1  0.005  0.933  0.335  1.0
  O  O25  1  0.495  0.567  0.835  1.0
  O  O26  1  0.505  0.067  0.665  1.0
  O  O27  1  0.995  0.433  0.165  1.0
  O  O28  1  0.250  0.718  0.634  1.0
  O  O29  1  0.250  0.782  0.134  1.0
  O  O30  1  0.750  0.282  0.366  1.0
  O  O31  1  0.750  0.218  0.866  1.0
  O  O32  1  0.012  0.422  0.591  1.0
  O  O33  1  0.488  0.078  0.091  1.0
  O  O34  1  0.512  0.578  0.409  1.0
  O  O35  1  0.988  0.922  0.909  1.0
  O  O36  1  0.988  0.578  0.409  1.0
  O  O37  1  0.512  0.922  0.909  1.0
  O  O38  1  0.488  0.422  0.591  1.0
  O  O39  1  0.012  0.078  0.091  1.0
  O  O40  1  0.250  0.629  0.968  1.0
  O  O41  1  0.250  0.871  0.468  1.0
  O  O42  1  0.750  0.371  0.032  1.0
  O  O43  1  0.750  0.129  0.532  1.0
[/CIF]
.
The material structure described by KV2SeO7 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(5), and four equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing VO6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-19°. Se(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded to two equivalent K(1), one V(1), and one Se(1) atom to form a mixture of distorted edge and corner-sharing OK2VSe tetrahedra. In the second O site, O(5) is bonded in a distorted single-bond geometry to three equivalent K(1) and one V(1) atom. In the third O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(2) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one V(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_KV2SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   6.992
_cell_length_c   17.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.620
_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
  K  K0  1  0.250  0.243  0.964  1.0
  K  K1  1  0.250  0.257  0.464  1.0
  K  K2  1  0.750  0.757  0.036  1.0
  K  K3  1  0.750  0.743  0.536  1.0
  V  V4  1  0.250  0.724  0.884  1.0
  V  V5  1  0.250  0.776  0.384  1.0
  V  V6  1  0.750  0.276  0.116  1.0
  V  V7  1  0.750  0.224  0.616  1.0
  V  V8  1  0.250  0.940  0.688  1.0
  V  V9  1  0.250  0.560  0.188  1.0
  V  V10  1  0.750  0.060  0.312  1.0
  V  V11  1  0.750  0.440  0.812  1.0
  Se  Se12  1  0.250  0.470  0.649  1.0
  Se  Se13  1  0.250  0.030  0.149  1.0
  Se  Se14  1  0.750  0.530  0.351  1.0
  Se  Se15  1  0.750  0.970  0.851  1.0
  O  O16  1  0.250  0.889  0.779  1.0
  O  O17  1  0.250  0.611  0.279  1.0
  O  O18  1  0.750  0.111  0.221  1.0
  O  O19  1  0.750  0.389  0.721  1.0
  O  O20  1  0.995  0.067  0.665  1.0
  O  O21  1  0.505  0.433  0.165  1.0
  O  O22  1  0.495  0.933  0.335  1.0
  O  O23  1  0.005  0.567  0.835  1.0
  O  O24  1  0.005  0.933  0.335  1.0
  O  O25  1  0.495  0.567  0.835  1.0
  O  O26  1  0.505  0.067  0.665  1.0
  O  O27  1  0.995  0.433  0.165  1.0
  O  O28  1  0.250  0.718  0.634  1.0
  O  O29  1  0.250  0.782  0.134  1.0
  O  O30  1  0.750  0.282  0.366  1.0
  O  O31  1  0.750  0.218  0.866  1.0
  O  O32  1  0.012  0.422  0.591  1.0
  O  O33  1  0.488  0.078  0.091  1.0
  O  O34  1  0.512  0.578  0.409  1.0
  O  O35  1  0.988  0.922  0.909  1.0
  O  O36  1  0.988  0.578  0.409  1.0
  O  O37  1  0.512  0.922  0.909  1.0
  O  O38  1  0.488  0.422  0.591  1.0
  O  O39  1  0.012  0.078  0.091  1.0
  O  O40  1  0.250  0.629  0.968  1.0
  O  O41  1  0.250  0.871  0.468  1.0
  O  O42  1  0.750  0.371  0.032  1.0
  O  O43  1  0.750  0.129  0.532  1.0
[/CIF]
.