The crystal structure described by K6MgV2(SO3)2 crystallizes in the monoclinic Pm space group. There are six inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one Mg(1), one S(2), one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one S(2), two equivalent O(3), and two equivalent O(4) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one S(1), one O(2), two equivalent O(1), and two equivalent O(4) atoms. In the fifth K site, K(5) is bonded in a 4-coordinate geometry to one S(2), two equivalent S(1), one O(1), and two equivalent O(3) atoms. In the sixth K site, K(6) is bonded in a 3-coordinate geometry to one S(1), two equivalent S(2), one O(2), and two equivalent O(4) atoms. Mg(1) is bonded in a 3-coordinate geometry to one K(2), one O(1), and two equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted tetrahedral geometry to one S(1), one O(2), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a distorted tetrahedral geometry to one S(2), one O(1), and two equivalent O(4) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), one K(4), one K(6), two equivalent K(5), and one V(1) atom. In the second S site, S(2) is bonded in a 8-coordinate geometry to one K(2), one K(3), one K(5), two equivalent K(1), two equivalent K(6), and one V(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(2), one K(5), two equivalent K(4), one Mg(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(4), one K(6), two equivalent K(2), and one V(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), one K(5), one Mg(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(6), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K6MgV2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.072
_cell_length_b   6.724
_cell_length_c   9.185
_cell_angle_alpha   106.685
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   359.200
_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  0.750  0.324  0.454  1.0
  K  K1  1  0.250  0.687  0.084  1.0
  K  K2  1  0.250  0.663  0.475  1.0
  K  K3  1  0.750  0.251  0.003  1.0
  K  K4  1  0.250  0.272  0.712  1.0
  K  K5  1  0.750  0.783  0.287  1.0
  Mg  Mg6  1  0.250  0.832  0.816  1.0
  V  V7  1  0.750  0.747  0.814  1.0
  V  V8  1  0.250  0.260  0.183  1.0
  S  S9  1  0.750  0.989  0.671  1.0
  S  S10  1  0.250  0.066  0.358  1.0
  O  O11  1  0.250  0.090  0.978  1.0
  O  O12  1  0.750  0.848  0.010  1.0
  O  O13  1  0.016  0.620  0.745  1.0
  O  O14  1  0.016  0.424  0.226  1.0
  O  O15  1  0.484  0.620  0.745  1.0
  O  O16  1  0.484  0.424  0.226  1.0
[/CIF]
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The crystal structure described by K6MgV2(SO3)2 crystallizes in the monoclinic Pm space group. There are six inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one Mg(1), one S(2), one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one S(2), two equivalent O(3), and two equivalent O(4) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one S(1), one O(2), two equivalent O(1), and two equivalent O(4) atoms. In the fifth K site, K(5) is bonded in a 4-coordinate geometry to one S(2), two equivalent S(1), one O(1), and two equivalent O(3) atoms. In the sixth K site, K(6) is bonded in a 3-coordinate geometry to one S(1), two equivalent S(2), one O(2), and two equivalent O(4) atoms. Mg(1) is bonded in a 3-coordinate geometry to one K(2), one O(1), and two equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted tetrahedral geometry to one S(1), one O(2), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a distorted tetrahedral geometry to one S(2), one O(1), and two equivalent O(4) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), one K(4), one K(6), two equivalent K(5), and one V(1) atom. In the second S site, S(2) is bonded in a 8-coordinate geometry to one K(2), one K(3), one K(5), two equivalent K(1), two equivalent K(6), and one V(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(2), one K(5), two equivalent K(4), one Mg(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(4), one K(6), two equivalent K(2), and one V(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), one K(5), one Mg(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(6), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K6MgV2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.072
_cell_length_b   6.724
_cell_length_c   9.185
_cell_angle_alpha   106.685
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   359.200
_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  0.750  0.324  0.454  1.0
  K  K1  1  0.250  0.687  0.084  1.0
  K  K2  1  0.250  0.663  0.475  1.0
  K  K3  1  0.750  0.251  0.003  1.0
  K  K4  1  0.250  0.272  0.712  1.0
  K  K5  1  0.750  0.783  0.287  1.0
  Mg  Mg6  1  0.250  0.832  0.816  1.0
  V  V7  1  0.750  0.747  0.814  1.0
  V  V8  1  0.250  0.260  0.183  1.0
  S  S9  1  0.750  0.989  0.671  1.0
  S  S10  1  0.250  0.066  0.358  1.0
  O  O11  1  0.250  0.090  0.978  1.0
  O  O12  1  0.750  0.848  0.010  1.0
  O  O13  1  0.016  0.620  0.745  1.0
  O  O14  1  0.016  0.424  0.226  1.0
  O  O15  1  0.484  0.620  0.745  1.0
  O  O16  1  0.484  0.424  0.226  1.0
[/CIF]
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