The material described by K4MgV2O7 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the third K site, K(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form MgO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra and  a cornercorner with one V(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(2), one K(4), one Mg(1), 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(2), one K(4), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one K(4), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(3), two equivalent K(1), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(4), one Mg(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one K(4), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one K(1), one K(2), one K(3), one K(4), and one V(2) atom. is represented by the CIF card [CIF]
data_K4MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.349
_cell_length_b   5.845
_cell_length_c   7.614
_cell_angle_alpha   76.107
_cell_angle_beta   90.942
_cell_angle_gamma   69.840
_symmetry_Int_Tables_number   1
_cell_volume   255.936
_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  0.696  0.677  0.312  1.0
  K  K1  1  0.185  0.412  0.748  1.0
  K  K2  1  0.105  0.987  0.421  1.0
  K  K3  1  0.057  0.937  0.981  1.0
  Mg  Mg4  1  0.630  0.104  0.623  1.0
  V  V5  1  0.598  0.645  0.814  1.0
  V  V6  1  0.387  0.349  0.218  1.0
  O  O7  1  0.831  0.767  0.784  1.0
  O  O8  1  0.670  0.380  0.713  1.0
  O  O9  1  0.292  0.152  0.124  1.0
  O  O10  1  0.664  0.165  0.364  1.0
  O  O11  1  0.386  0.952  0.689  1.0
  O  O12  1  0.480  0.565  0.028  1.0
  O  O13  1  0.195  0.534  0.343  1.0
[/CIF]
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The material described by K4MgV2O7 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the third K site, K(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form MgO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra and  a cornercorner with one V(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(2), one K(4), one Mg(1), 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(2), one K(4), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one K(4), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(3), two equivalent K(1), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(4), one Mg(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one K(4), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one K(1), one K(2), one K(3), one K(4), and one V(2) atom. is represented by the CIF card [CIF]
data_K4MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.349
_cell_length_b   5.845
_cell_length_c   7.614
_cell_angle_alpha   76.107
_cell_angle_beta   90.942
_cell_angle_gamma   69.840
_symmetry_Int_Tables_number   1
_cell_volume   255.936
_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  0.696  0.677  0.312  1.0
  K  K1  1  0.185  0.412  0.748  1.0
  K  K2  1  0.105  0.987  0.421  1.0
  K  K3  1  0.057  0.937  0.981  1.0
  Mg  Mg4  1  0.630  0.104  0.623  1.0
  V  V5  1  0.598  0.645  0.814  1.0
  V  V6  1  0.387  0.349  0.218  1.0
  O  O7  1  0.831  0.767  0.784  1.0
  O  O8  1  0.670  0.380  0.713  1.0
  O  O9  1  0.292  0.152  0.124  1.0
  O  O10  1  0.664  0.165  0.364  1.0
  O  O11  1  0.386  0.952  0.689  1.0
  O  O12  1  0.480  0.565  0.028  1.0
  O  O13  1  0.195  0.534  0.343  1.0
[/CIF]
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