The crystal structure described by Ba5Ti4MoO15 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(5), three equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra; corners with five equivalent Ba(2)O12 cuboctahedra; corners with six Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with four Ba(1,1)O12 cuboctahedra; faces with two equivalent Ti(1)O6 octahedra; and faces with six equivalent Ti(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(4), one O(6), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra; corners with four equivalent Ba(3)O12 cuboctahedra; corners with five Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Ba(3)O12 cuboctahedra; faces with two equivalent Ti(2)O6 octahedra; faces with two equivalent Mo(1)O6 octahedra; and faces with four equivalent Ti(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to two equivalent O(5), two equivalent O(6), and eight equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with two Ba(1,1)O12 cuboctahedra; corners with two equivalent Ba(3)O12 cuboctahedra; corners with eight equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Ba(3)O12 cuboctahedra; faces with four equivalent Ba(2)O12 cuboctahedra; faces with four equivalent Ti(1)O6 octahedra; and faces with four equivalent Mo(1)O6 octahedra. In the fourth Ba site, Ba(1) is bonded to one O(5), three equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra; corners with five equivalent Ba(2)O12 cuboctahedra; corners with six Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with four Ba(1,1)O12 cuboctahedra; faces with two equivalent Ti(1)O6 octahedra; and faces with six equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra; corners with four equivalent Ti(2)O6 octahedra; faces with two equivalent Ba(2)O12 cuboctahedra; and faces with six Ba(1,1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are six inequivalent O sites. In the first O site, O(6) is bonded to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Mo(1) atoms to form distorted OBa4Mo2 octahedra that share corners with four equivalent O(6)Ba4Mo2 octahedra, corners with eight equivalent O(2)Ba4TiMo octahedra, and faces with eight equivalent O(2)Ba4TiMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the third O site, O(2) is bonded to two equivalent Ba(2), two equivalent Ba(3), one Ti(1), and one Mo(1) atom to form distorted OBa4TiMo octahedra that share corners with two equivalent O(6)Ba4Mo2 octahedra, corners with nine equivalent O(2)Ba4TiMo octahedra, edges with three equivalent O(2)Ba4TiMo octahedra, faces with two equivalent O(6)Ba4Mo2 octahedra, and faces with three equivalent O(2)Ba4TiMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(3) is bonded in a distorted linear geometry to four Ba(1,1) and two equivalent Ti(2) atoms. In the fifth O site, O(4) is bonded in a distorted linear geometry to one Ba(2); three Ba(1,1); and two equivalent Ti(2) atoms. In the sixth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Ti4MoO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.665
_cell_length_b   14.665
_cell_length_c   4.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.375
_symmetry_Int_Tables_number   1
_cell_volume   334.453
_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  0.300  0.700  0.500  1.0
  Ba  Ba1  1  0.899  0.101  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.500  1.0
  Ba  Ba3  1  0.101  0.899  0.500  1.0
  Ba  Ba4  1  0.700  0.300  0.500  1.0
  Ti  Ti5  1  0.600  0.400  0.000  1.0
  Ti  Ti6  1  0.200  0.800  0.000  1.0
  Ti  Ti7  1  0.800  0.200  0.000  1.0
  Ti  Ti8  1  0.400  0.600  0.000  1.0
  Mo  Mo9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.099  0.399  0.000  1.0
  O  O11  1  0.692  0.795  0.000  1.0
  O  O12  1  0.308  0.205  0.000  1.0
  O  O13  1  0.901  0.601  0.000  1.0
  O  O14  1  0.500  0.000  0.000  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.601  0.901  0.000  1.0
  O  O17  1  0.205  0.308  0.000  1.0
  O  O18  1  0.795  0.692  0.000  1.0
  O  O19  1  0.399  0.099  0.000  1.0
  O  O20  1  0.800  0.200  0.500  1.0
  O  O21  1  0.400  0.600  0.500  1.0
  O  O22  1  0.000  0.000  0.500  1.0
  O  O23  1  0.600  0.400  0.500  1.0
  O  O24  1  0.200  0.800  0.500  1.0
[/CIF]
.
The crystal structure described by Ba5Ti4MoO15 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(5), three equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra; corners with five equivalent Ba(2)O12 cuboctahedra; corners with six Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with four Ba(1,1)O12 cuboctahedra; faces with two equivalent Ti(1)O6 octahedra; and faces with six equivalent Ti(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(4), one O(6), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra; corners with four equivalent Ba(3)O12 cuboctahedra; corners with five Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Ba(3)O12 cuboctahedra; faces with two equivalent Ti(2)O6 octahedra; faces with two equivalent Mo(1)O6 octahedra; and faces with four equivalent Ti(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to two equivalent O(5), two equivalent O(6), and eight equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with two Ba(1,1)O12 cuboctahedra; corners with two equivalent Ba(3)O12 cuboctahedra; corners with eight equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Ba(3)O12 cuboctahedra; faces with four equivalent Ba(2)O12 cuboctahedra; faces with four equivalent Ti(1)O6 octahedra; and faces with four equivalent Mo(1)O6 octahedra. In the fourth Ba site, Ba(1) is bonded to one O(5), three equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra; corners with five equivalent Ba(2)O12 cuboctahedra; corners with six Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with four Ba(1,1)O12 cuboctahedra; faces with two equivalent Ti(1)O6 octahedra; and faces with six equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra; corners with four equivalent Ti(2)O6 octahedra; faces with two equivalent Ba(2)O12 cuboctahedra; and faces with six Ba(1,1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are six inequivalent O sites. In the first O site, O(6) is bonded to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Mo(1) atoms to form distorted OBa4Mo2 octahedra that share corners with four equivalent O(6)Ba4Mo2 octahedra, corners with eight equivalent O(2)Ba4TiMo octahedra, and faces with eight equivalent O(2)Ba4TiMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the third O site, O(2) is bonded to two equivalent Ba(2), two equivalent Ba(3), one Ti(1), and one Mo(1) atom to form distorted OBa4TiMo octahedra that share corners with two equivalent O(6)Ba4Mo2 octahedra, corners with nine equivalent O(2)Ba4TiMo octahedra, edges with three equivalent O(2)Ba4TiMo octahedra, faces with two equivalent O(6)Ba4Mo2 octahedra, and faces with three equivalent O(2)Ba4TiMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(3) is bonded in a distorted linear geometry to four Ba(1,1) and two equivalent Ti(2) atoms. In the fifth O site, O(4) is bonded in a distorted linear geometry to one Ba(2); three Ba(1,1); and two equivalent Ti(2) atoms. In the sixth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Ti4MoO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.665
_cell_length_b   14.665
_cell_length_c   4.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.375
_symmetry_Int_Tables_number   1
_cell_volume   334.453
_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  0.300  0.700  0.500  1.0
  Ba  Ba1  1  0.899  0.101  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.500  1.0
  Ba  Ba3  1  0.101  0.899  0.500  1.0
  Ba  Ba4  1  0.700  0.300  0.500  1.0
  Ti  Ti5  1  0.600  0.400  0.000  1.0
  Ti  Ti6  1  0.200  0.800  0.000  1.0
  Ti  Ti7  1  0.800  0.200  0.000  1.0
  Ti  Ti8  1  0.400  0.600  0.000  1.0
  Mo  Mo9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.099  0.399  0.000  1.0
  O  O11  1  0.692  0.795  0.000  1.0
  O  O12  1  0.308  0.205  0.000  1.0
  O  O13  1  0.901  0.601  0.000  1.0
  O  O14  1  0.500  0.000  0.000  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.601  0.901  0.000  1.0
  O  O17  1  0.205  0.308  0.000  1.0
  O  O18  1  0.795  0.692  0.000  1.0
  O  O19  1  0.399  0.099  0.000  1.0
  O  O20  1  0.800  0.200  0.500  1.0
  O  O21  1  0.400  0.600  0.500  1.0
  O  O22  1  0.000  0.000  0.500  1.0
  O  O23  1  0.600  0.400  0.500  1.0
  O  O24  1  0.200  0.800  0.500  1.0
[/CIF]
.