The crystal structure described by K4MgV6O16 crystallizes in the tetragonal P4 space group. K(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), two equivalent O(6), and three equivalent O(4) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(5) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(6) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mg(1) and one V(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to four equivalent K(1) and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_K4MgV6O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   8.889
_cell_length_c   8.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.224
_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
  K  K0  1  0.161  0.703  0.127  1.0
  K  K1  1  0.161  0.873  0.703  1.0
  K  K2  1  0.161  0.127  0.297  1.0
  K  K3  1  0.161  0.297  0.873  1.0
  Mg  Mg4  1  0.331  0.500  0.500  1.0
  V  V5  1  0.637  0.861  0.366  1.0
  V  V6  1  0.637  0.366  0.139  1.0
  V  V7  1  0.637  0.139  0.634  1.0
  V  V8  1  0.637  0.634  0.861  1.0
  V  V9  1  0.625  0.000  0.000  1.0
  V  V10  1  0.729  0.500  0.500  1.0
  O  O11  1  0.025  0.500  0.500  1.0
  O  O12  1  0.906  0.000  0.000  1.0
  O  O13  1  0.529  0.500  0.000  1.0
  O  O14  1  0.529  0.000  0.500  1.0
  O  O15  1  0.920  0.638  0.866  1.0
  O  O16  1  0.920  0.134  0.638  1.0
  O  O17  1  0.920  0.866  0.362  1.0
  O  O18  1  0.920  0.362  0.134  1.0
  O  O19  1  0.539  0.582  0.679  1.0
  O  O20  1  0.539  0.418  0.321  1.0
  O  O21  1  0.516  0.190  0.094  1.0
  O  O22  1  0.516  0.906  0.190  1.0
  O  O23  1  0.516  0.094  0.810  1.0
  O  O24  1  0.516  0.810  0.906  1.0
  O  O25  1  0.539  0.321  0.582  1.0
  O  O26  1  0.539  0.679  0.418  1.0
[/CIF]
.
The crystal structure described by K4MgV6O16 crystallizes in the tetragonal P4 space group. K(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), two equivalent O(6), and three equivalent O(4) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(5) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(6) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mg(1) and one V(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to four equivalent K(1) and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_K4MgV6O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   8.889
_cell_length_c   8.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.224
_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
  K  K0  1  0.161  0.703  0.127  1.0
  K  K1  1  0.161  0.873  0.703  1.0
  K  K2  1  0.161  0.127  0.297  1.0
  K  K3  1  0.161  0.297  0.873  1.0
  Mg  Mg4  1  0.331  0.500  0.500  1.0
  V  V5  1  0.637  0.861  0.366  1.0
  V  V6  1  0.637  0.366  0.139  1.0
  V  V7  1  0.637  0.139  0.634  1.0
  V  V8  1  0.637  0.634  0.861  1.0
  V  V9  1  0.625  0.000  0.000  1.0
  V  V10  1  0.729  0.500  0.500  1.0
  O  O11  1  0.025  0.500  0.500  1.0
  O  O12  1  0.906  0.000  0.000  1.0
  O  O13  1  0.529  0.500  0.000  1.0
  O  O14  1  0.529  0.000  0.500  1.0
  O  O15  1  0.920  0.638  0.866  1.0
  O  O16  1  0.920  0.134  0.638  1.0
  O  O17  1  0.920  0.866  0.362  1.0
  O  O18  1  0.920  0.362  0.134  1.0
  O  O19  1  0.539  0.582  0.679  1.0
  O  O20  1  0.539  0.418  0.321  1.0
  O  O21  1  0.516  0.190  0.094  1.0
  O  O22  1  0.516  0.906  0.190  1.0
  O  O23  1  0.516  0.094  0.810  1.0
  O  O24  1  0.516  0.810  0.906  1.0
  O  O25  1  0.539  0.321  0.582  1.0
  O  O26  1  0.539  0.679  0.418  1.0
[/CIF]
.