The compound described by K8MgTi2O8 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the third K site, K(3) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Ti(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(3), one Mg(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(2), two equivalent K(3), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K8MgTi2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.182
_cell_length_b   8.182
_cell_length_c   6.643
_cell_angle_alpha   106.621
_cell_angle_beta   106.621
_cell_angle_gamma   79.538
_symmetry_Int_Tables_number   1
_cell_volume   405.937
_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  0.168  0.832  0.500  1.0
  K  K1  1  0.142  0.858  0.000  1.0
  K  K2  1  0.572  0.875  0.246  1.0
  K  K3  1  0.125  0.428  0.754  1.0
  K  K4  1  0.428  0.125  0.754  1.0
  K  K5  1  0.875  0.572  0.246  1.0
  K  K6  1  0.858  0.142  0.000  1.0
  K  K7  1  0.832  0.168  0.500  1.0
  Mg  Mg8  1  0.500  0.500  0.500  1.0
  Ti  Ti9  1  0.257  0.257  0.273  1.0
  Ti  Ti10  1  0.743  0.743  0.727  1.0
  O  O11  1  0.226  0.491  0.393  1.0
  O  O12  1  0.509  0.774  0.607  1.0
  O  O13  1  0.179  0.179  0.976  1.0
  O  O14  1  0.142  0.142  0.383  1.0
  O  O15  1  0.821  0.821  0.024  1.0
  O  O16  1  0.858  0.858  0.617  1.0
  O  O17  1  0.774  0.509  0.607  1.0
  O  O18  1  0.491  0.226  0.393  1.0
[/CIF]
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The compound described by K8MgTi2O8 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the third K site, K(3) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Ti(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(3), one Mg(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(2), two equivalent K(3), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K8MgTi2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.182
_cell_length_b   8.182
_cell_length_c   6.643
_cell_angle_alpha   106.621
_cell_angle_beta   106.621
_cell_angle_gamma   79.538
_symmetry_Int_Tables_number   1
_cell_volume   405.937
_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  0.168  0.832  0.500  1.0
  K  K1  1  0.142  0.858  0.000  1.0
  K  K2  1  0.572  0.875  0.246  1.0
  K  K3  1  0.125  0.428  0.754  1.0
  K  K4  1  0.428  0.125  0.754  1.0
  K  K5  1  0.875  0.572  0.246  1.0
  K  K6  1  0.858  0.142  0.000  1.0
  K  K7  1  0.832  0.168  0.500  1.0
  Mg  Mg8  1  0.500  0.500  0.500  1.0
  Ti  Ti9  1  0.257  0.257  0.273  1.0
  Ti  Ti10  1  0.743  0.743  0.727  1.0
  O  O11  1  0.226  0.491  0.393  1.0
  O  O12  1  0.509  0.774  0.607  1.0
  O  O13  1  0.179  0.179  0.976  1.0
  O  O14  1  0.142  0.142  0.383  1.0
  O  O15  1  0.821  0.821  0.024  1.0
  O  O16  1  0.858  0.858  0.617  1.0
  O  O17  1  0.774  0.509  0.607  1.0
  O  O18  1  0.491  0.226  0.393  1.0
[/CIF]
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