The compound described by TiAg2SiO5 crystallizes in the tetragonal P4/nmm space group. Ti(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent Ag(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with four equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Ag(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted AgO6 octahedra that share corners with two equivalent Ag(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, edges with four equivalent Ag(1)O6 octahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with eight equivalent Ag(1)O6 octahedra and corners with four equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), two equivalent Ag(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ti(1) and four equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_TiSiAg2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.559
_cell_length_b   6.559
_cell_length_c   5.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.807
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.000  0.500  0.937  1.0
  Ti  Ti1  1  0.500  0.000  0.063  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
  Ag  Ag4  1  0.250  0.250  0.500  1.0
  Ag  Ag5  1  0.750  0.750  0.500  1.0
  Ag  Ag6  1  0.250  0.750  0.500  1.0
  Ag  Ag7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.292  0.500  0.832  1.0
  O  O9  1  0.708  0.500  0.832  1.0
  O  O10  1  0.792  0.000  0.168  1.0
  O  O11  1  0.208  0.000  0.168  1.0
  O  O12  1  0.500  0.708  0.168  1.0
  O  O13  1  0.500  0.292  0.168  1.0
  O  O14  1  0.000  0.208  0.832  1.0
  O  O15  1  0.000  0.792  0.832  1.0
  O  O16  1  0.000  0.500  0.247  1.0
  O  O17  1  0.500  0.000  0.753  1.0
[/CIF]
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The compound described by TiAg2SiO5 crystallizes in the tetragonal P4/nmm space group. Ti(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent Ag(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with four equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Ag(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted AgO6 octahedra that share corners with two equivalent Ag(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, edges with four equivalent Ag(1)O6 octahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with eight equivalent Ag(1)O6 octahedra and corners with four equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), two equivalent Ag(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ti(1) and four equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_TiSiAg2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.559
_cell_length_b   6.559
_cell_length_c   5.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.807
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.000  0.500  0.937  1.0
  Ti  Ti1  1  0.500  0.000  0.063  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
  Ag  Ag4  1  0.250  0.250  0.500  1.0
  Ag  Ag5  1  0.750  0.750  0.500  1.0
  Ag  Ag6  1  0.250  0.750  0.500  1.0
  Ag  Ag7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.292  0.500  0.832  1.0
  O  O9  1  0.708  0.500  0.832  1.0
  O  O10  1  0.792  0.000  0.168  1.0
  O  O11  1  0.208  0.000  0.168  1.0
  O  O12  1  0.500  0.708  0.168  1.0
  O  O13  1  0.500  0.292  0.168  1.0
  O  O14  1  0.000  0.208  0.832  1.0
  O  O15  1  0.000  0.792  0.832  1.0
  O  O16  1  0.000  0.500  0.247  1.0
  O  O17  1  0.500  0.000  0.753  1.0
[/CIF]
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