The compound described by K4MgV2O7 crystallizes in the monoclinic Cm space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 2-coordinate geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), one K(3), two equivalent K(2), and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(3), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(2), one K(4), two equivalent K(1), one Mg(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(3), one K(4), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), two equivalent K(4), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_K4MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.830
_cell_length_b   6.830
_cell_length_c   7.302
_cell_angle_alpha   76.987
_cell_angle_beta   76.987
_cell_angle_gamma   52.816
_symmetry_Int_Tables_number   1
_cell_volume   262.685
_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  0.719  0.719  0.251  1.0
  K  K1  1  0.302  0.302  0.811  1.0
  K  K2  1  0.923  0.923  0.592  1.0
  K  K3  1  0.036  0.036  0.059  1.0
  Mg  Mg4  1  0.184  0.184  0.461  1.0
  V  V5  1  0.624  0.624  0.758  1.0
  V  V6  1  0.393  0.393  0.196  1.0
  O  O7  1  0.733  0.733  0.874  1.0
  O  O8  1  0.875  0.379  0.612  1.0
  O  O9  1  0.237  0.237  0.187  1.0
  O  O10  1  0.648  0.160  0.318  1.0
  O  O11  1  0.379  0.875  0.612  1.0
  O  O12  1  0.484  0.484  0.943  1.0
  O  O13  1  0.160  0.648  0.318  1.0
[/CIF]
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The compound described by K4MgV2O7 crystallizes in the monoclinic Cm space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 2-coordinate geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), one K(3), two equivalent K(2), and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(3), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(2), one K(4), two equivalent K(1), one Mg(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(3), one K(4), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), two equivalent K(4), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_K4MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.830
_cell_length_b   6.830
_cell_length_c   7.302
_cell_angle_alpha   76.987
_cell_angle_beta   76.987
_cell_angle_gamma   52.816
_symmetry_Int_Tables_number   1
_cell_volume   262.685
_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  0.719  0.719  0.251  1.0
  K  K1  1  0.302  0.302  0.811  1.0
  K  K2  1  0.923  0.923  0.592  1.0
  K  K3  1  0.036  0.036  0.059  1.0
  Mg  Mg4  1  0.184  0.184  0.461  1.0
  V  V5  1  0.624  0.624  0.758  1.0
  V  V6  1  0.393  0.393  0.196  1.0
  O  O7  1  0.733  0.733  0.874  1.0
  O  O8  1  0.875  0.379  0.612  1.0
  O  O9  1  0.237  0.237  0.187  1.0
  O  O10  1  0.648  0.160  0.318  1.0
  O  O11  1  0.379  0.875  0.612  1.0
  O  O12  1  0.484  0.484  0.943  1.0
  O  O13  1  0.160  0.648  0.318  1.0
[/CIF]
.