The structure described by K4MgV2O7 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second K site, K(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent K(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_K4MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   6.358
_cell_length_c   8.056
_cell_angle_alpha   93.702
_cell_angle_beta   93.702
_cell_angle_gamma   62.142
_symmetry_Int_Tables_number   1
_cell_volume   287.057
_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  0.738  0.738  0.224  1.0
  K  K1  1  0.262  0.262  0.776  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  K  K3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.611  0.611  0.832  1.0
  V  V6  1  0.389  0.389  0.168  1.0
  O  O7  1  0.767  0.767  0.895  1.0
  O  O8  1  0.771  0.367  0.678  1.0
  O  O9  1  0.233  0.233  0.105  1.0
  O  O10  1  0.633  0.229  0.322  1.0
  O  O11  1  0.367  0.771  0.678  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.229  0.633  0.322  1.0
[/CIF]
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The structure described by K4MgV2O7 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second K site, K(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent K(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_K4MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   6.358
_cell_length_c   8.056
_cell_angle_alpha   93.702
_cell_angle_beta   93.702
_cell_angle_gamma   62.142
_symmetry_Int_Tables_number   1
_cell_volume   287.057
_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  0.738  0.738  0.224  1.0
  K  K1  1  0.262  0.262  0.776  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  K  K3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.611  0.611  0.832  1.0
  V  V6  1  0.389  0.389  0.168  1.0
  O  O7  1  0.767  0.767  0.895  1.0
  O  O8  1  0.771  0.367  0.678  1.0
  O  O9  1  0.233  0.233  0.105  1.0
  O  O10  1  0.633  0.229  0.322  1.0
  O  O11  1  0.367  0.771  0.678  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.229  0.633  0.322  1.0
[/CIF]
.