The material structure described by K3MgYV2O8 crystallizes in the monoclinic C2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a linear geometry to two equivalent O(4) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Y(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form YO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-35°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mg(1), one Y(1), and one V(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mg(1), one Y(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Y(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3YMgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   6.148
_cell_length_c   8.424
_cell_angle_alpha   85.478
_cell_angle_beta   94.522
_cell_angle_gamma   119.524
_symmetry_Int_Tables_number   1
_cell_volume   275.907
_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  0.697  0.303  0.241  1.0
  K  K1  1  0.302  0.697  0.759  1.0
  K  K2  1  0.999  0.999  1.000  1.0
  Y  Y3  1  0.000  0.000  0.500  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.701  0.299  0.743  1.0
  V  V6  1  0.299  0.701  0.257  1.0
  O  O7  1  0.672  0.329  0.940  1.0
  O  O8  1  0.329  0.672  0.060  1.0
  O  O9  1  0.824  0.614  0.625  1.0
  O  O10  1  0.386  0.176  0.625  1.0
  O  O11  1  0.863  0.137  0.702  1.0
  O  O12  1  0.176  0.386  0.375  1.0
  O  O13  1  0.614  0.824  0.375  1.0
  O  O14  1  0.137  0.863  0.298  1.0
[/CIF]
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The material structure described by K3MgYV2O8 crystallizes in the monoclinic C2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a linear geometry to two equivalent O(4) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Y(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form YO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-35°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mg(1), one Y(1), and one V(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mg(1), one Y(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Y(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3YMgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   6.148
_cell_length_c   8.424
_cell_angle_alpha   85.478
_cell_angle_beta   94.522
_cell_angle_gamma   119.524
_symmetry_Int_Tables_number   1
_cell_volume   275.907
_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  0.697  0.303  0.241  1.0
  K  K1  1  0.302  0.697  0.759  1.0
  K  K2  1  0.999  0.999  1.000  1.0
  Y  Y3  1  0.000  0.000  0.500  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.701  0.299  0.743  1.0
  V  V6  1  0.299  0.701  0.257  1.0
  O  O7  1  0.672  0.329  0.940  1.0
  O  O8  1  0.329  0.672  0.060  1.0
  O  O9  1  0.824  0.614  0.625  1.0
  O  O10  1  0.386  0.176  0.625  1.0
  O  O11  1  0.863  0.137  0.702  1.0
  O  O12  1  0.176  0.386  0.375  1.0
  O  O13  1  0.614  0.824  0.375  1.0
  O  O14  1  0.137  0.863  0.298  1.0
[/CIF]
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