The material described by KVMoO6 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(6), and three equivalent O(5) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mo(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one V(1), and one Mo(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mo(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one V(1) atom. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to one K(1) and one Mo(1) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to three equivalent V(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.765
_cell_length_b   10.640
_cell_length_c   13.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.528
_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  0.615  0.862  1.0
  K  K1  1  0.750  0.385  0.138  1.0
  K  K2  1  0.750  0.885  0.362  1.0
  K  K3  1  0.250  0.115  0.638  1.0
  V  V4  1  0.250  0.014  0.108  1.0
  V  V5  1  0.750  0.986  0.892  1.0
  V  V6  1  0.750  0.486  0.608  1.0
  V  V7  1  0.250  0.514  0.392  1.0
  Mo  Mo8  1  0.250  0.734  0.577  1.0
  Mo  Mo9  1  0.750  0.266  0.423  1.0
  Mo  Mo10  1  0.750  0.766  0.077  1.0
  Mo  Mo11  1  0.250  0.234  0.923  1.0
  O  O12  1  0.250  0.172  0.087  1.0
  O  O13  1  0.750  0.828  0.913  1.0
  O  O14  1  0.750  0.328  0.587  1.0
  O  O15  1  0.250  0.672  0.413  1.0
  O  O16  1  0.250  0.884  0.524  1.0
  O  O17  1  0.750  0.116  0.476  1.0
  O  O18  1  0.750  0.616  0.024  1.0
  O  O19  1  0.250  0.384  0.976  1.0
  O  O20  1  0.250  0.993  0.226  1.0
  O  O21  1  0.750  0.007  0.774  1.0
  O  O22  1  0.750  0.507  0.726  1.0
  O  O23  1  0.250  0.493  0.274  1.0
  O  O24  1  0.250  0.764  0.700  1.0
  O  O25  1  0.750  0.236  0.300  1.0
  O  O26  1  0.750  0.736  0.200  1.0
  O  O27  1  0.250  0.264  0.800  1.0
  O  O28  1  0.250  0.527  0.576  1.0
  O  O29  1  0.750  0.473  0.424  1.0
  O  O30  1  0.750  0.973  0.076  1.0
  O  O31  1  0.250  0.027  0.924  1.0
  O  O32  1  0.250  0.817  0.065  1.0
  O  O33  1  0.750  0.183  0.935  1.0
  O  O34  1  0.750  0.683  0.565  1.0
  O  O35  1  0.250  0.317  0.435  1.0
[/CIF]
.
The material described by KVMoO6 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(6), and three equivalent O(5) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mo(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one V(1), and one Mo(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mo(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one V(1) atom. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to one K(1) and one Mo(1) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to three equivalent V(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.765
_cell_length_b   10.640
_cell_length_c   13.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.528
_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  0.615  0.862  1.0
  K  K1  1  0.750  0.385  0.138  1.0
  K  K2  1  0.750  0.885  0.362  1.0
  K  K3  1  0.250  0.115  0.638  1.0
  V  V4  1  0.250  0.014  0.108  1.0
  V  V5  1  0.750  0.986  0.892  1.0
  V  V6  1  0.750  0.486  0.608  1.0
  V  V7  1  0.250  0.514  0.392  1.0
  Mo  Mo8  1  0.250  0.734  0.577  1.0
  Mo  Mo9  1  0.750  0.266  0.423  1.0
  Mo  Mo10  1  0.750  0.766  0.077  1.0
  Mo  Mo11  1  0.250  0.234  0.923  1.0
  O  O12  1  0.250  0.172  0.087  1.0
  O  O13  1  0.750  0.828  0.913  1.0
  O  O14  1  0.750  0.328  0.587  1.0
  O  O15  1  0.250  0.672  0.413  1.0
  O  O16  1  0.250  0.884  0.524  1.0
  O  O17  1  0.750  0.116  0.476  1.0
  O  O18  1  0.750  0.616  0.024  1.0
  O  O19  1  0.250  0.384  0.976  1.0
  O  O20  1  0.250  0.993  0.226  1.0
  O  O21  1  0.750  0.007  0.774  1.0
  O  O22  1  0.750  0.507  0.726  1.0
  O  O23  1  0.250  0.493  0.274  1.0
  O  O24  1  0.250  0.764  0.700  1.0
  O  O25  1  0.750  0.236  0.300  1.0
  O  O26  1  0.750  0.736  0.200  1.0
  O  O27  1  0.250  0.264  0.800  1.0
  O  O28  1  0.250  0.527  0.576  1.0
  O  O29  1  0.750  0.473  0.424  1.0
  O  O30  1  0.750  0.973  0.076  1.0
  O  O31  1  0.250  0.027  0.924  1.0
  O  O32  1  0.250  0.817  0.065  1.0
  O  O33  1  0.750  0.183  0.935  1.0
  O  O34  1  0.750  0.683  0.565  1.0
  O  O35  1  0.250  0.317  0.435  1.0
[/CIF]
.