The material described by MgTi2Si2(Ag2O5)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 3-coordinate geometry to one Ag(2), one O(6), and two equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. In the second Ti site, Ti(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent Si(1)O4 tetrahedra. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one Mg(1), one O(5), and two equivalent O(3) atoms. In the third Ag site, Ag(3) is bonded in a distorted single-bond geometry to one O(3) atom. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Ti(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ag(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ti(2), one Ag(2), one Ag(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ti(2) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ag(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one Ti(2), and one Ag(1) atom. is represented by the CIF file [CIF]
data_MgTi2Si2(Ag2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   6.492
_cell_length_c   6.492
_cell_angle_alpha   89.589
_cell_angle_beta   87.011
_cell_angle_gamma   92.989
_symmetry_Int_Tables_number   1
_cell_volume   310.545
_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
  Mg  Mg0  1  0.745  0.781  0.719  1.0
  Ti  Ti1  1  0.959  0.502  0.998  1.0
  Ti  Ti2  1  0.086  0.015  0.485  1.0
  Si  Si3  1  0.016  0.505  0.492  1.0
  Si  Si4  1  0.016  0.008  0.995  1.0
  Ag  Ag5  1  0.685  0.192  0.308  1.0
  Ag  Ag6  1  0.369  0.730  0.770  1.0
  Ag  Ag7  1  0.449  0.838  0.352  1.0
  Ag  Ag8  1  0.449  0.148  0.662  1.0
  O  O9  1  0.886  0.500  0.292  1.0
  O  O10  1  0.873  0.518  0.699  1.0
  O  O11  1  0.151  0.012  0.785  1.0
  O  O12  1  0.141  0.003  0.195  1.0
  O  O13  1  0.151  0.715  0.488  1.0
  O  O14  1  0.141  0.305  0.497  1.0
  O  O15  1  0.886  0.208  1.000  1.0
  O  O16  1  0.873  0.801  0.982  1.0
  O  O17  1  0.190  0.526  0.974  1.0
  O  O18  1  0.850  0.982  0.518  1.0
[/CIF]
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The material described by MgTi2Si2(Ag2O5)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 3-coordinate geometry to one Ag(2), one O(6), and two equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. In the second Ti site, Ti(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent Si(1)O4 tetrahedra. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one Mg(1), one O(5), and two equivalent O(3) atoms. In the third Ag site, Ag(3) is bonded in a distorted single-bond geometry to one O(3) atom. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Ti(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ag(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ti(2), one Ag(2), one Ag(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ti(2) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ag(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one Ti(2), and one Ag(1) atom. is represented by the CIF file [CIF]
data_MgTi2Si2(Ag2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   6.492
_cell_length_c   6.492
_cell_angle_alpha   89.589
_cell_angle_beta   87.011
_cell_angle_gamma   92.989
_symmetry_Int_Tables_number   1
_cell_volume   310.545
_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
  Mg  Mg0  1  0.745  0.781  0.719  1.0
  Ti  Ti1  1  0.959  0.502  0.998  1.0
  Ti  Ti2  1  0.086  0.015  0.485  1.0
  Si  Si3  1  0.016  0.505  0.492  1.0
  Si  Si4  1  0.016  0.008  0.995  1.0
  Ag  Ag5  1  0.685  0.192  0.308  1.0
  Ag  Ag6  1  0.369  0.730  0.770  1.0
  Ag  Ag7  1  0.449  0.838  0.352  1.0
  Ag  Ag8  1  0.449  0.148  0.662  1.0
  O  O9  1  0.886  0.500  0.292  1.0
  O  O10  1  0.873  0.518  0.699  1.0
  O  O11  1  0.151  0.012  0.785  1.0
  O  O12  1  0.141  0.003  0.195  1.0
  O  O13  1  0.151  0.715  0.488  1.0
  O  O14  1  0.141  0.305  0.497  1.0
  O  O15  1  0.886  0.208  1.000  1.0
  O  O16  1  0.873  0.801  0.982  1.0
  O  O17  1  0.190  0.526  0.974  1.0
  O  O18  1  0.850  0.982  0.518  1.0
[/CIF]
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