The structure described by K3MgV3O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second K site, K(2) is bonded in a 1-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 2-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one K(2) and one V(2) atom. is represented by the CIF card [CIF]
data_K3MgV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.904
_cell_length_c   8.339
_cell_angle_alpha   87.359
_cell_angle_beta   89.982
_cell_angle_gamma   119.380
_symmetry_Int_Tables_number   1
_cell_volume   248.281
_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  0.000  0.001  0.000  1.0
  K  K1  1  0.306  0.612  0.237  1.0
  K  K2  1  0.694  0.388  0.763  1.0
  Mg  Mg3  1  0.500  0.000  0.500  1.0
  V  V4  1  1.000  1.000  0.500  1.0
  V  V5  1  0.303  0.606  0.733  1.0
  V  V6  1  0.697  0.394  0.267  1.0
  O  O7  1  0.838  0.198  0.379  1.0
  O  O8  1  0.864  0.728  0.312  1.0
  O  O9  1  0.361  0.198  0.379  1.0
  O  O10  1  0.639  0.802  0.621  1.0
  O  O11  1  0.136  0.272  0.687  1.0
  O  O12  1  0.162  0.802  0.621  1.0
  O  O13  1  0.331  0.663  0.934  1.0
  O  O14  1  0.668  0.336  0.066  1.0
[/CIF]
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The structure described by K3MgV3O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second K site, K(2) is bonded in a 1-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 2-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one K(2) and one V(2) atom. is represented by the CIF card [CIF]
data_K3MgV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.904
_cell_length_c   8.339
_cell_angle_alpha   87.359
_cell_angle_beta   89.982
_cell_angle_gamma   119.380
_symmetry_Int_Tables_number   1
_cell_volume   248.281
_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  0.000  0.001  0.000  1.0
  K  K1  1  0.306  0.612  0.237  1.0
  K  K2  1  0.694  0.388  0.763  1.0
  Mg  Mg3  1  0.500  0.000  0.500  1.0
  V  V4  1  1.000  1.000  0.500  1.0
  V  V5  1  0.303  0.606  0.733  1.0
  V  V6  1  0.697  0.394  0.267  1.0
  O  O7  1  0.838  0.198  0.379  1.0
  O  O8  1  0.864  0.728  0.312  1.0
  O  O9  1  0.361  0.198  0.379  1.0
  O  O10  1  0.639  0.802  0.621  1.0
  O  O11  1  0.136  0.272  0.687  1.0
  O  O12  1  0.162  0.802  0.621  1.0
  O  O13  1  0.331  0.663  0.934  1.0
  O  O14  1  0.668  0.336  0.066  1.0
[/CIF]
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