The compound described by Ba4MgTi3O10 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(10) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(7), two equivalent O(8), and four equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(5), two equivalent O(6), and four equivalent O(9) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ba(3), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Ti site, Ti(2) is bonded to one O(9), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing TiO5 square pyramids. In the third Ti site, Ti(3) is bonded to one O(1), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing TiO5 square pyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ba(4), four equivalent Ba(2), and one Ti(3) atom to form distorted OBa5Ti octahedra that share corners with two equivalent O(5)Ba4Ti2 octahedra, corners with two equivalent O(6)Ba4Ti2 octahedra, corners with four equivalent O(7)Ba4Ti2 octahedra, corners with four equivalent O(8)Ba4Ti2 octahedra, corners with four equivalent O(1)Ba5Ti octahedra, edges with four equivalent O(1)Ba5Ti octahedra, edges with four equivalent O(9)Ba5Ti octahedra, faces with two equivalent O(7)Ba4Ti2 octahedra, and faces with two equivalent O(8)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 5-58°. In the second O site, O(2) is bonded in a 1-coordinate geometry to four equivalent Ba(3) and one Ti(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ba(3), two equivalent Mg(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ba(3), two equivalent Mg(1), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ti(2) atoms to form distorted OBa4Ti2 octahedra that share corners with two equivalent O(5)Ba4Ti2 octahedra, corners with two equivalent O(1)Ba5Ti octahedra, corners with four equivalent O(9)Ba5Ti octahedra, edges with two equivalent O(5)Ba4Ti2 octahedra, faces with two equivalent O(9)Ba5Ti octahedra, and faces with four equivalent O(6)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 10-58°. In the sixth O site, O(6) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ti(2) atoms to form distorted OBa4Ti2 octahedra that share corners with two equivalent O(6)Ba4Ti2 octahedra, corners with two equivalent O(1)Ba5Ti octahedra, corners with four equivalent O(9)Ba5Ti octahedra, edges with two equivalent O(6)Ba4Ti2 octahedra, faces with two equivalent O(9)Ba5Ti octahedra, and faces with four equivalent O(5)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 11-58°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ti(3) atoms to form distorted OBa4Ti2 octahedra that share corners with two equivalent O(7)Ba4Ti2 octahedra, corners with two equivalent O(9)Ba5Ti octahedra, corners with four equivalent O(1)Ba5Ti octahedra, edges with two equivalent O(7)Ba4Ti2 octahedra, faces with two equivalent O(1)Ba5Ti octahedra, and faces with four equivalent O(8)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 11-58°. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ti(3) atoms to form distorted OBa4Ti2 octahedra that share corners with two equivalent O(8)Ba4Ti2 octahedra, corners with two equivalent O(9)Ba5Ti octahedra, corners with four equivalent O(1)Ba5Ti octahedra, edges with two equivalent O(8)Ba4Ti2 octahedra, faces with two equivalent O(1)Ba5Ti octahedra, and faces with four equivalent O(7)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 12-58°. In the ninth O site, O(9) is bonded to one Ba(2), four equivalent Ba(4), and one Ti(2) atom to form distorted OBa5Ti octahedra that share corners with two equivalent O(7)Ba4Ti2 octahedra, corners with two equivalent O(8)Ba4Ti2 octahedra, corners with four equivalent O(5)Ba4Ti2 octahedra, corners with four equivalent O(6)Ba4Ti2 octahedra, corners with four equivalent O(9)Ba5Ti octahedra, edges with four equivalent O(1)Ba5Ti octahedra, edges with four equivalent O(9)Ba5Ti octahedra, faces with two equivalent O(5)Ba4Ti2 octahedra, and faces with two equivalent O(6)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 5-58°. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to four equivalent Ba(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_Ba4MgTi3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   16.797
_cell_length_c   5.734
_cell_angle_alpha   100.095
_cell_angle_beta   135.060
_cell_angle_gamma   82.862
_symmetry_Int_Tables_number   1
_cell_volume   270.572
_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
  Ba  Ba0  1  0.013  0.824  0.968  1.0
  Ba  Ba1  1  0.008  0.588  0.827  1.0
  Ba  Ba2  1  0.017  0.176  0.141  1.0
  Ba  Ba3  1  0.009  0.412  0.239  1.0
  Mg  Mg4  1  0.987  1.000  0.892  1.0
  Ti  Ti5  1  0.989  0.002  0.422  1.0
  Ti  Ti6  1  0.010  0.302  0.686  1.0
  Ti  Ti7  1  0.008  0.697  0.384  1.0
  O  O8  1  0.008  0.581  0.322  1.0
  O  O9  1  0.995  0.122  0.541  1.0
  O  O10  1  0.526  0.002  0.934  1.0
  O  O11  1  0.454  0.002  0.397  1.0
  O  O12  1  0.509  0.291  0.180  1.0
  O  O13  1  0.513  0.290  0.682  1.0
  O  O14  1  0.508  0.709  0.889  1.0
  O  O15  1  0.510  0.710  0.391  1.0
  O  O16  1  0.008  0.420  0.743  1.0
  O  O17  1  0.994  0.881  0.421  1.0
[/CIF]
.
The compound described by Ba4MgTi3O10 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(10) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(7), two equivalent O(8), and four equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(5), two equivalent O(6), and four equivalent O(9) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ba(3), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Ti site, Ti(2) is bonded to one O(9), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing TiO5 square pyramids. In the third Ti site, Ti(3) is bonded to one O(1), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing TiO5 square pyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ba(4), four equivalent Ba(2), and one Ti(3) atom to form distorted OBa5Ti octahedra that share corners with two equivalent O(5)Ba4Ti2 octahedra, corners with two equivalent O(6)Ba4Ti2 octahedra, corners with four equivalent O(7)Ba4Ti2 octahedra, corners with four equivalent O(8)Ba4Ti2 octahedra, corners with four equivalent O(1)Ba5Ti octahedra, edges with four equivalent O(1)Ba5Ti octahedra, edges with four equivalent O(9)Ba5Ti octahedra, faces with two equivalent O(7)Ba4Ti2 octahedra, and faces with two equivalent O(8)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 5-58°. In the second O site, O(2) is bonded in a 1-coordinate geometry to four equivalent Ba(3) and one Ti(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ba(3), two equivalent Mg(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ba(3), two equivalent Mg(1), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ti(2) atoms to form distorted OBa4Ti2 octahedra that share corners with two equivalent O(5)Ba4Ti2 octahedra, corners with two equivalent O(1)Ba5Ti octahedra, corners with four equivalent O(9)Ba5Ti octahedra, edges with two equivalent O(5)Ba4Ti2 octahedra, faces with two equivalent O(9)Ba5Ti octahedra, and faces with four equivalent O(6)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 10-58°. In the sixth O site, O(6) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ti(2) atoms to form distorted OBa4Ti2 octahedra that share corners with two equivalent O(6)Ba4Ti2 octahedra, corners with two equivalent O(1)Ba5Ti octahedra, corners with four equivalent O(9)Ba5Ti octahedra, edges with two equivalent O(6)Ba4Ti2 octahedra, faces with two equivalent O(9)Ba5Ti octahedra, and faces with four equivalent O(5)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 11-58°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ti(3) atoms to form distorted OBa4Ti2 octahedra that share corners with two equivalent O(7)Ba4Ti2 octahedra, corners with two equivalent O(9)Ba5Ti octahedra, corners with four equivalent O(1)Ba5Ti octahedra, edges with two equivalent O(7)Ba4Ti2 octahedra, faces with two equivalent O(1)Ba5Ti octahedra, and faces with four equivalent O(8)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 11-58°. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ti(3) atoms to form distorted OBa4Ti2 octahedra that share corners with two equivalent O(8)Ba4Ti2 octahedra, corners with two equivalent O(9)Ba5Ti octahedra, corners with four equivalent O(1)Ba5Ti octahedra, edges with two equivalent O(8)Ba4Ti2 octahedra, faces with two equivalent O(1)Ba5Ti octahedra, and faces with four equivalent O(7)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 12-58°. In the ninth O site, O(9) is bonded to one Ba(2), four equivalent Ba(4), and one Ti(2) atom to form distorted OBa5Ti octahedra that share corners with two equivalent O(7)Ba4Ti2 octahedra, corners with two equivalent O(8)Ba4Ti2 octahedra, corners with four equivalent O(5)Ba4Ti2 octahedra, corners with four equivalent O(6)Ba4Ti2 octahedra, corners with four equivalent O(9)Ba5Ti octahedra, edges with four equivalent O(1)Ba5Ti octahedra, edges with four equivalent O(9)Ba5Ti octahedra, faces with two equivalent O(5)Ba4Ti2 octahedra, and faces with two equivalent O(6)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 5-58°. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to four equivalent Ba(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_Ba4MgTi3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   16.797
_cell_length_c   5.734
_cell_angle_alpha   100.095
_cell_angle_beta   135.060
_cell_angle_gamma   82.862
_symmetry_Int_Tables_number   1
_cell_volume   270.572
_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
  Ba  Ba0  1  0.013  0.824  0.968  1.0
  Ba  Ba1  1  0.008  0.588  0.827  1.0
  Ba  Ba2  1  0.017  0.176  0.141  1.0
  Ba  Ba3  1  0.009  0.412  0.239  1.0
  Mg  Mg4  1  0.987  1.000  0.892  1.0
  Ti  Ti5  1  0.989  0.002  0.422  1.0
  Ti  Ti6  1  0.010  0.302  0.686  1.0
  Ti  Ti7  1  0.008  0.697  0.384  1.0
  O  O8  1  0.008  0.581  0.322  1.0
  O  O9  1  0.995  0.122  0.541  1.0
  O  O10  1  0.526  0.002  0.934  1.0
  O  O11  1  0.454  0.002  0.397  1.0
  O  O12  1  0.509  0.291  0.180  1.0
  O  O13  1  0.513  0.290  0.682  1.0
  O  O14  1  0.508  0.709  0.889  1.0
  O  O15  1  0.510  0.710  0.391  1.0
  O  O16  1  0.008  0.420  0.743  1.0
  O  O17  1  0.994  0.881  0.421  1.0
[/CIF]
.