The material described by Ba5V5O14 crystallizes in the triclinic P1 space group. There are ten inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), one O(8), two equivalent O(17), two equivalent O(21), and two equivalent O(25) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent V(6)O6 octahedra, faces with three equivalent Ba(10)O12 cuboctahedra, faces with three equivalent V(3)O6 octahedra, faces with three equivalent V(5)O6 octahedra, and  a faceface with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-10°. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(11), one O(14), one O(24), one O(4), one O(6), two equivalent O(15), two equivalent O(19), and two equivalent O(27) atoms. In the third Ba site, Ba(3) is bonded to one O(10), one O(12), one O(3), one O(5), one O(7), one O(9), two equivalent O(18), two equivalent O(22), and two equivalent O(26) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent V(4)O6 octahedra, faces with three equivalent V(7)O6 octahedra, faces with three equivalent V(8)O6 octahedra, and  a faceface with one V(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 9-11°. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(5), one O(7), two equivalent O(16), two equivalent O(20), and two equivalent O(28) atoms. In the fifth Ba site, Ba(5) is bonded in a distorted q6 geometry to one O(13), one O(16), one O(2), one O(20), one O(28), one O(8), two equivalent O(1), and two equivalent O(23) atoms. In the sixth Ba site, Ba(6) is bonded in a distorted q6 geometry to one O(12), one O(15), one O(19), one O(27), one O(3), one O(9), two equivalent O(14), and two equivalent O(24) atoms. In the seventh Ba site, Ba(7) is bonded in a 11-coordinate geometry to one O(1), one O(17), one O(21), one O(23), one O(25), two equivalent O(13), two equivalent O(2), and two equivalent O(8) atoms. In the eighth Ba site, Ba(8) is bonded in a 11-coordinate geometry to one O(14), one O(18), one O(22), one O(24), one O(26), two equivalent O(12), two equivalent O(3), and two equivalent O(9) atoms. In the ninth Ba site, Ba(9) is bonded in a 12-coordinate geometry to one O(16), one O(18), one O(20), one O(22), one O(26), one O(28), two equivalent O(10), two equivalent O(5), and two equivalent O(7) atoms. In the tenth Ba site, Ba(10) is bonded to one O(15), one O(17), one O(19), one O(21), one O(25), one O(27), two equivalent O(11), two equivalent O(4), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(10)O12 cuboctahedra, corners with three equivalent V(3)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent V(5)O6 octahedra, faces with three equivalent V(6)O6 octahedra, and  a faceface with one V(9)O5 square pyramid. The corner-sharing octahedral tilt angles range from 7-12°. There are ten inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(2), one O(23), and one O(8) atom to form VO5 trigonal bipyramids that share corners with three equivalent V(3)O6 octahedra, corners with two equivalent V(10)O5 trigonal bipyramids, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second V site, V(2) is bonded to one O(12), one O(14), one O(24), one O(3), and one O(9) atom to form VO5 square pyramids that share corners with three equivalent V(7)O6 octahedra, corners with two equivalent V(9)O5 square pyramids, and  a faceface with one Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third V site, V(3) is bonded to one O(13), one O(17), one O(2), one O(21), one O(25), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Ba(10)O12 cuboctahedra, corners with three equivalent V(1)O5 trigonal bipyramids, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(10), one O(16), one O(20), one O(28), one O(5), and one O(7) atom to form VO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent V(10)O5 trigonal bipyramids, and  a faceface with one V(8)O6 octahedra. In the fifth V site, V(5) is bonded to one O(11), one O(17), one O(21), one O(25), one O(4), and one O(6) atom to form VO6 octahedra that share faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(10)O12 cuboctahedra,  a faceface with one V(3)O6 octahedra, and  a faceface with one V(6)O6 octahedra. In the sixth V site, V(6) is bonded to one O(11), one O(15), one O(19), one O(27), one O(4), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent V(9)O5 square pyramids, faces with three equivalent Ba(10)O12 cuboctahedra, and  a faceface with one V(5)O6 octahedra. In the seventh V site, V(7) is bonded to one O(12), one O(18), one O(22), one O(26), one O(3), and one O(9) atom to form VO6 octahedra that share corners with three equivalent V(2)O5 square pyramids, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one V(8)O6 octahedra. In the eighth V site, V(8) is bonded to one O(10), one O(18), one O(22), one O(26), one O(5), and one O(7) atom to form VO6 octahedra that share faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one V(4)O6 octahedra, and  a faceface with one V(7)O6 octahedra. In the ninth V site, V(9) is bonded to one O(14), one O(15), one O(19), one O(24), and one O(27) atom to form distorted VO5 square pyramids that share corners with three equivalent V(6)O6 octahedra, corners with two equivalent V(2)O5 square pyramids, and  a faceface with one Ba(10)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-19°. In the tenth V site, V(10) is bonded to one O(1), one O(16), one O(20), one O(23), and one O(28) atom to form VO5 trigonal bipyramids that share corners with three equivalent V(4)O6 octahedra and corners with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-20°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(4), one Ba(7), two equivalent Ba(5), one V(1), and one V(10) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), one Ba(5), two equivalent Ba(7), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(3), one Ba(6), two equivalent Ba(8), one V(2), and one V(7) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(10), one V(5), and one V(6) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(9), one V(4), and one V(8) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(10), one V(5), and one V(6) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(9), one V(4), and one V(8) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Ba(1), one Ba(5), two equivalent Ba(7), one V(1), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Ba(3), one Ba(6), two equivalent Ba(8), one V(2), and one V(7) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(9), one V(4), and one V(8) atom. In the eleventh O site, O(11) is bonded to one Ba(1), one Ba(2), two equivalent Ba(10), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OBa4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Ba(3), one Ba(6), two equivalent Ba(8), one V(2), and one V(7) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(5), two equivalent Ba(7), one V(1), and one V(3) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Ba(2), one Ba(8), two equivalent Ba(6), one V(2), and one V(9) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Ba(10), one Ba(6), two equivalent Ba(2), one V(6), and one V(9) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Ba(5), one Ba(9), two equivalent Ba(4), one V(10), and one V(4) atom. In the seventeenth O site, O(17) is bonded to one Ba(10), one Ba(7), two equivalent Ba(1), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing OBa4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Ba(8), one Ba(9), two equivalent Ba(3), one V(7), and one V(8) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Ba(10), one Ba(6), two equivalent Ba(2), one V(6), and one V(9) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(9), two equivalent Ba(4), one V(10), and one V(4) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Ba(10), one Ba(7), two equivalent Ba(1), one V(3), and one V(5) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one Ba(8), one Ba(9), two equivalent Ba(3), one V(7), and one V(8) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Ba(7), two equivalent Ba(5), one V(1), and one V(10) atom. In the twenty-fourth O site, O(24) is bonded in a distorted linear geometry to one Ba(2), one Ba(8), two equivalent Ba(6), one V(2), and one V(9) atom. In the twenty-fifth O site, O(25) is bonded in a 6-coordinate geometry to one Ba(10), one Ba(7), two equivalent Ba(1), one V(3), and one V(5) atom. In the twenty-sixth O site, O(26) is bonded to one Ba(8), one Ba(9), two equivalent Ba(3), one V(7), and one V(8) atom to form distorted corner-sharing OBa4V2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the twenty-seventh O site, O(27) is bonded in a 2-coordinate geometry to one Ba(10), one Ba(6), two equivalent Ba(2), one V(6), and one V(9) atom. In the twenty-eighth O site, O(28) is bonded in a distorted linear geometry to one Ba(5), one Ba(9), two equivalent Ba(4), one V(10), and one V(4) atom. is represented by the CIF card [CIF]
data_Ba5V5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.799
_cell_length_c   23.815
_cell_angle_alpha   89.053
_cell_angle_beta   89.499
_cell_angle_gamma   60.566
_symmetry_Int_Tables_number   1
_cell_volume   695.750
_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
  Ba  Ba0  1  0.667  0.667  0.794  1.0
  Ba  Ba1  1  0.661  0.675  0.612  1.0
  Ba  Ba2  1  0.668  0.673  0.295  1.0
  Ba  Ba3  1  0.673  0.668  0.112  1.0
  Ba  Ba4  1  0.001  0.995  1.000  1.0
  Ba  Ba5  1  0.998  0.002  0.499  1.0
  Ba  Ba6  1  0.329  0.337  0.890  1.0
  Ba  Ba7  1  0.334  0.336  0.391  1.0
  Ba  Ba8  1  0.337  0.333  0.208  1.0
  Ba  Ba9  1  0.329  0.342  0.708  1.0
  V  V10  1  0.633  0.689  0.946  1.0
  V  V11  1  0.685  0.630  0.447  1.0
  V  V12  1  0.991  0.004  0.860  1.0
  V  V13  1  0.015  0.984  0.140  1.0
  V  V14  1  0.998  0.006  0.749  1.0
  V  V15  1  0.991  0.024  0.639  1.0
  V  V16  1  0.000  0.001  0.360  1.0
  V  V17  1  0.000  0.005  0.249  1.0
  V  V18  1  0.309  0.382  0.555  1.0
  V  V19  1  0.371  0.317  0.054  1.0
  O  O20  1  0.530  0.955  0.004  1.0
  O  O21  1  0.310  0.847  0.899  1.0
  O  O22  1  0.341  0.836  0.407  1.0
  O  O23  1  0.294  0.861  0.696  1.0
  O  O24  1  0.311  0.850  0.196  1.0
  O  O25  1  0.834  0.874  0.700  1.0
  O  O26  1  0.863  0.833  0.201  1.0
  O  O27  1  0.839  0.820  0.907  1.0
  O  O28  1  0.826  0.835  0.406  1.0
  O  O29  1  0.855  0.293  0.198  1.0
  O  O30  1  0.844  0.323  0.697  1.0
  O  O31  1  0.850  0.310  0.400  1.0
  O  O32  1  0.832  0.336  0.907  1.0
  O  O33  1  0.017  0.483  0.499  1.0
  O  O34  1  0.166  0.658  0.599  1.0
  O  O35  1  0.177  0.658  0.094  1.0
  O  O36  1  0.144  0.705  0.802  1.0
  O  O37  1  0.151  0.707  0.306  1.0
  O  O38  1  0.187  0.151  0.590  1.0
  O  O39  1  0.150  0.204  0.086  1.0
  O  O40  1  0.141  0.157  0.800  1.0
  O  O41  1  0.159  0.145  0.302  1.0
  O  O42  1  0.451  0.483  0.996  1.0
  O  O43  1  0.505  0.480  0.499  1.0
  O  O44  1  0.699  0.149  0.808  1.0
  O  O45  1  0.701  0.151  0.303  1.0
  O  O46  1  0.659  0.157  0.592  1.0
  O  O47  1  0.672  0.166  0.099  1.0
[/CIF]
.
The material described by Ba5V5O14 crystallizes in the triclinic P1 space group. There are ten inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), one O(8), two equivalent O(17), two equivalent O(21), and two equivalent O(25) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent V(6)O6 octahedra, faces with three equivalent Ba(10)O12 cuboctahedra, faces with three equivalent V(3)O6 octahedra, faces with three equivalent V(5)O6 octahedra, and  a faceface with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-10°. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(11), one O(14), one O(24), one O(4), one O(6), two equivalent O(15), two equivalent O(19), and two equivalent O(27) atoms. In the third Ba site, Ba(3) is bonded to one O(10), one O(12), one O(3), one O(5), one O(7), one O(9), two equivalent O(18), two equivalent O(22), and two equivalent O(26) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent V(4)O6 octahedra, faces with three equivalent V(7)O6 octahedra, faces with three equivalent V(8)O6 octahedra, and  a faceface with one V(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 9-11°. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(5), one O(7), two equivalent O(16), two equivalent O(20), and two equivalent O(28) atoms. In the fifth Ba site, Ba(5) is bonded in a distorted q6 geometry to one O(13), one O(16), one O(2), one O(20), one O(28), one O(8), two equivalent O(1), and two equivalent O(23) atoms. In the sixth Ba site, Ba(6) is bonded in a distorted q6 geometry to one O(12), one O(15), one O(19), one O(27), one O(3), one O(9), two equivalent O(14), and two equivalent O(24) atoms. In the seventh Ba site, Ba(7) is bonded in a 11-coordinate geometry to one O(1), one O(17), one O(21), one O(23), one O(25), two equivalent O(13), two equivalent O(2), and two equivalent O(8) atoms. In the eighth Ba site, Ba(8) is bonded in a 11-coordinate geometry to one O(14), one O(18), one O(22), one O(24), one O(26), two equivalent O(12), two equivalent O(3), and two equivalent O(9) atoms. In the ninth Ba site, Ba(9) is bonded in a 12-coordinate geometry to one O(16), one O(18), one O(20), one O(22), one O(26), one O(28), two equivalent O(10), two equivalent O(5), and two equivalent O(7) atoms. In the tenth Ba site, Ba(10) is bonded to one O(15), one O(17), one O(19), one O(21), one O(25), one O(27), two equivalent O(11), two equivalent O(4), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(10)O12 cuboctahedra, corners with three equivalent V(3)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent V(5)O6 octahedra, faces with three equivalent V(6)O6 octahedra, and  a faceface with one V(9)O5 square pyramid. The corner-sharing octahedral tilt angles range from 7-12°. There are ten inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(2), one O(23), and one O(8) atom to form VO5 trigonal bipyramids that share corners with three equivalent V(3)O6 octahedra, corners with two equivalent V(10)O5 trigonal bipyramids, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second V site, V(2) is bonded to one O(12), one O(14), one O(24), one O(3), and one O(9) atom to form VO5 square pyramids that share corners with three equivalent V(7)O6 octahedra, corners with two equivalent V(9)O5 square pyramids, and  a faceface with one Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third V site, V(3) is bonded to one O(13), one O(17), one O(2), one O(21), one O(25), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Ba(10)O12 cuboctahedra, corners with three equivalent V(1)O5 trigonal bipyramids, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(10), one O(16), one O(20), one O(28), one O(5), and one O(7) atom to form VO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent V(10)O5 trigonal bipyramids, and  a faceface with one V(8)O6 octahedra. In the fifth V site, V(5) is bonded to one O(11), one O(17), one O(21), one O(25), one O(4), and one O(6) atom to form VO6 octahedra that share faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(10)O12 cuboctahedra,  a faceface with one V(3)O6 octahedra, and  a faceface with one V(6)O6 octahedra. In the sixth V site, V(6) is bonded to one O(11), one O(15), one O(19), one O(27), one O(4), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent V(9)O5 square pyramids, faces with three equivalent Ba(10)O12 cuboctahedra, and  a faceface with one V(5)O6 octahedra. In the seventh V site, V(7) is bonded to one O(12), one O(18), one O(22), one O(26), one O(3), and one O(9) atom to form VO6 octahedra that share corners with three equivalent V(2)O5 square pyramids, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one V(8)O6 octahedra. In the eighth V site, V(8) is bonded to one O(10), one O(18), one O(22), one O(26), one O(5), and one O(7) atom to form VO6 octahedra that share faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one V(4)O6 octahedra, and  a faceface with one V(7)O6 octahedra. In the ninth V site, V(9) is bonded to one O(14), one O(15), one O(19), one O(24), and one O(27) atom to form distorted VO5 square pyramids that share corners with three equivalent V(6)O6 octahedra, corners with two equivalent V(2)O5 square pyramids, and  a faceface with one Ba(10)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-19°. In the tenth V site, V(10) is bonded to one O(1), one O(16), one O(20), one O(23), and one O(28) atom to form VO5 trigonal bipyramids that share corners with three equivalent V(4)O6 octahedra and corners with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-20°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(4), one Ba(7), two equivalent Ba(5), one V(1), and one V(10) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), one Ba(5), two equivalent Ba(7), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(3), one Ba(6), two equivalent Ba(8), one V(2), and one V(7) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(10), one V(5), and one V(6) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(9), one V(4), and one V(8) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(10), one V(5), and one V(6) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(9), one V(4), and one V(8) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Ba(1), one Ba(5), two equivalent Ba(7), one V(1), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Ba(3), one Ba(6), two equivalent Ba(8), one V(2), and one V(7) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(9), one V(4), and one V(8) atom. In the eleventh O site, O(11) is bonded to one Ba(1), one Ba(2), two equivalent Ba(10), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OBa4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Ba(3), one Ba(6), two equivalent Ba(8), one V(2), and one V(7) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(5), two equivalent Ba(7), one V(1), and one V(3) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Ba(2), one Ba(8), two equivalent Ba(6), one V(2), and one V(9) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Ba(10), one Ba(6), two equivalent Ba(2), one V(6), and one V(9) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Ba(5), one Ba(9), two equivalent Ba(4), one V(10), and one V(4) atom. In the seventeenth O site, O(17) is bonded to one Ba(10), one Ba(7), two equivalent Ba(1), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing OBa4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Ba(8), one Ba(9), two equivalent Ba(3), one V(7), and one V(8) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Ba(10), one Ba(6), two equivalent Ba(2), one V(6), and one V(9) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(9), two equivalent Ba(4), one V(10), and one V(4) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Ba(10), one Ba(7), two equivalent Ba(1), one V(3), and one V(5) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one Ba(8), one Ba(9), two equivalent Ba(3), one V(7), and one V(8) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Ba(7), two equivalent Ba(5), one V(1), and one V(10) atom. In the twenty-fourth O site, O(24) is bonded in a distorted linear geometry to one Ba(2), one Ba(8), two equivalent Ba(6), one V(2), and one V(9) atom. In the twenty-fifth O site, O(25) is bonded in a 6-coordinate geometry to one Ba(10), one Ba(7), two equivalent Ba(1), one V(3), and one V(5) atom. In the twenty-sixth O site, O(26) is bonded to one Ba(8), one Ba(9), two equivalent Ba(3), one V(7), and one V(8) atom to form distorted corner-sharing OBa4V2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the twenty-seventh O site, O(27) is bonded in a 2-coordinate geometry to one Ba(10), one Ba(6), two equivalent Ba(2), one V(6), and one V(9) atom. In the twenty-eighth O site, O(28) is bonded in a distorted linear geometry to one Ba(5), one Ba(9), two equivalent Ba(4), one V(10), and one V(4) atom. is represented by the CIF card [CIF]
data_Ba5V5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.799
_cell_length_c   23.815
_cell_angle_alpha   89.053
_cell_angle_beta   89.499
_cell_angle_gamma   60.566
_symmetry_Int_Tables_number   1
_cell_volume   695.750
_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
  Ba  Ba0  1  0.667  0.667  0.794  1.0
  Ba  Ba1  1  0.661  0.675  0.612  1.0
  Ba  Ba2  1  0.668  0.673  0.295  1.0
  Ba  Ba3  1  0.673  0.668  0.112  1.0
  Ba  Ba4  1  0.001  0.995  1.000  1.0
  Ba  Ba5  1  0.998  0.002  0.499  1.0
  Ba  Ba6  1  0.329  0.337  0.890  1.0
  Ba  Ba7  1  0.334  0.336  0.391  1.0
  Ba  Ba8  1  0.337  0.333  0.208  1.0
  Ba  Ba9  1  0.329  0.342  0.708  1.0
  V  V10  1  0.633  0.689  0.946  1.0
  V  V11  1  0.685  0.630  0.447  1.0
  V  V12  1  0.991  0.004  0.860  1.0
  V  V13  1  0.015  0.984  0.140  1.0
  V  V14  1  0.998  0.006  0.749  1.0
  V  V15  1  0.991  0.024  0.639  1.0
  V  V16  1  0.000  0.001  0.360  1.0
  V  V17  1  0.000  0.005  0.249  1.0
  V  V18  1  0.309  0.382  0.555  1.0
  V  V19  1  0.371  0.317  0.054  1.0
  O  O20  1  0.530  0.955  0.004  1.0
  O  O21  1  0.310  0.847  0.899  1.0
  O  O22  1  0.341  0.836  0.407  1.0
  O  O23  1  0.294  0.861  0.696  1.0
  O  O24  1  0.311  0.850  0.196  1.0
  O  O25  1  0.834  0.874  0.700  1.0
  O  O26  1  0.863  0.833  0.201  1.0
  O  O27  1  0.839  0.820  0.907  1.0
  O  O28  1  0.826  0.835  0.406  1.0
  O  O29  1  0.855  0.293  0.198  1.0
  O  O30  1  0.844  0.323  0.697  1.0
  O  O31  1  0.850  0.310  0.400  1.0
  O  O32  1  0.832  0.336  0.907  1.0
  O  O33  1  0.017  0.483  0.499  1.0
  O  O34  1  0.166  0.658  0.599  1.0
  O  O35  1  0.177  0.658  0.094  1.0
  O  O36  1  0.144  0.705  0.802  1.0
  O  O37  1  0.151  0.707  0.306  1.0
  O  O38  1  0.187  0.151  0.590  1.0
  O  O39  1  0.150  0.204  0.086  1.0
  O  O40  1  0.141  0.157  0.800  1.0
  O  O41  1  0.159  0.145  0.302  1.0
  O  O42  1  0.451  0.483  0.996  1.0
  O  O43  1  0.505  0.480  0.499  1.0
  O  O44  1  0.699  0.149  0.808  1.0
  O  O45  1  0.701  0.151  0.303  1.0
  O  O46  1  0.659  0.157  0.592  1.0
  O  O47  1  0.672  0.166  0.099  1.0
[/CIF]
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