The compound described by Ba5Y3F19 crystallizes in the triclinic P1 space group. There are ten inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one F(11), one F(12), one F(28), one F(3), one F(31), and one F(35) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(10), one F(13), one F(17), one F(2), one F(36), one F(5), and one F(9) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one F(12), one F(18), one F(30), one F(33), one F(34), one F(37), and one F(4) atom. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one F(1), one F(14), one F(19), one F(23), one F(24), one F(25), and one F(29) atom. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one F(1), one F(15), one F(19), one F(22), one F(24), one F(25), and one F(28) atom. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one F(12), one F(16), one F(18), one F(20), one F(21), one F(27), and one F(38) atom. In the seventh Ba site, Ba(7) is bonded in a 7-coordinate geometry to one F(13), one F(16), one F(17), one F(20), one F(21), one F(26), and one F(38) atom. In the eighth Ba site, Ba(8) is bonded in a 7-coordinate geometry to one F(23), one F(29), one F(30), one F(32), one F(34), one F(37), and one F(4) atom. In the ninth Ba site, Ba(9) is bonded in a 7-coordinate geometry to one F(10), one F(2), one F(22), one F(28), one F(36), one F(5), and one F(6) atom. In the tenth Ba site, Ba(10) is bonded in a 6-coordinate geometry to one F(11), one F(13), one F(29), one F(3), one F(31), and one F(35) atom. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(1), one F(18), one F(2), one F(25), one F(3), and one F(5) atom. In the second Y site, Y(2) is bonded to one F(14), one F(26), one F(33), one F(6), one F(7), and one F(8) atom to form corner-sharing YF6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Y site, Y(3) is bonded to one F(15), one F(27), one F(32), one F(7), one F(8), and one F(9) atom to form corner-sharing YF6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Y site, Y(4) is bonded in an octahedral geometry to one F(10), one F(16), one F(21), one F(23), one F(35), and one F(36) atom. In the fifth Y site, Y(5) is bonded in an octahedral geometry to one F(17), one F(19), one F(24), one F(30), one F(31), and one F(4) atom. In the sixth Y site, Y(6) is bonded in an octahedral geometry to one F(11), one F(20), one F(22), one F(34), one F(37), and one F(38) atom. There are thirty-eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(9), and one Y(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(10), and one Y(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(8), and one Y(5) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(9), and one Y(1) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Ba(9) and one Y(2) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Y(2) and one Y(3) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Y(2) and one Y(3) atom. In the ninth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Y(3) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(9), and one Y(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(10), and one Y(6) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Ba(1), one Ba(3), and one Ba(6) atom. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Ba(10), one Ba(2), and one Ba(7) atom. In the fourteenth F site, F(14) is bonded in a bent 120 degrees geometry to one Ba(4) and one Y(2) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 120 degrees geometry to one Ba(5) and one Y(3) atom. In the sixteenth F site, F(16) is bonded in a 3-coordinate geometry to one Ba(6), one Ba(7), and one Y(4) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(7), and one Y(5) atom. In the eighteenth F site, F(18) is bonded in a trigonal planar geometry to one Ba(3), one Ba(6), and one Y(1) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(5) atom. In the twentieth F site, F(20) is bonded in a distorted trigonal non-coplanar geometry to one Ba(6), one Ba(7), and one Y(6) atom. In the twenty-first F site, F(21) is bonded in a 3-coordinate geometry to one Ba(6), one Ba(7), and one Y(4) atom. In the twenty-second F site, F(22) is bonded in a distorted trigonal planar geometry to one Ba(5), one Ba(9), and one Y(6) atom. In the twenty-third F site, F(23) is bonded in a trigonal planar geometry to one Ba(4), one Ba(8), and one Y(4) atom. In the twenty-fourth F site, F(24) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(5) atom. In the twenty-fifth F site, F(25) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the twenty-sixth F site, F(26) is bonded in a bent 120 degrees geometry to one Ba(7) and one Y(2) atom. In the twenty-seventh F site, F(27) is bonded in a bent 120 degrees geometry to one Ba(6) and one Y(3) atom. In the twenty-eighth F site, F(28) is bonded in a trigonal planar geometry to one Ba(1), one Ba(5), and one Ba(9) atom. In the twenty-ninth F site, F(29) is bonded in a trigonal planar geometry to one Ba(10), one Ba(4), and one Ba(8) atom. In the thirtieth F site, F(30) is bonded in a distorted trigonal non-coplanar geometry to one Ba(3), one Ba(8), and one Y(5) atom. In the thirty-first F site, F(31) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(10), and one Y(5) atom. In the thirty-second F site, F(32) is bonded in a bent 120 degrees geometry to one Ba(8) and one Y(3) atom. In the thirty-third F site, F(33) is bonded in a bent 120 degrees geometry to one Ba(3) and one Y(2) atom. In the thirty-fourth F site, F(34) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(8), and one Y(6) atom. In the thirty-fifth F site, F(35) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(10), and one Y(4) atom. In the thirty-sixth F site, F(36) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(9), and one Y(4) atom. In the thirty-seventh F site, F(37) is bonded in a distorted trigonal non-coplanar geometry to one Ba(3), one Ba(8), and one Y(6) atom. In the thirty-eighth F site, F(38) is bonded in a 3-coordinate geometry to one Ba(6), one Ba(7), and one Y(6) atom. is represented by the CIF card [CIF]
data_Ba5Y3F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.368
_cell_length_b   11.944
_cell_length_c   11.947
_cell_angle_alpha   82.955
_cell_angle_beta   110.500
_cell_angle_gamma   110.504
_symmetry_Int_Tables_number   1
_cell_volume   1047.658
_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  0.696  0.501  0.498  1.0
  Ba  Ba1  1  0.264  0.695  0.819  1.0
  Ba  Ba2  1  0.245  0.177  0.299  1.0
  Ba  Ba3  1  0.940  0.697  0.173  1.0
  Ba  Ba4  1  0.568  0.818  0.303  1.0
  Ba  Ba5  1  0.447  0.175  0.696  1.0
  Ba  Ba6  1  0.072  0.300  0.825  1.0
  Ba  Ba7  1  0.741  0.301  0.179  1.0
  Ba  Ba8  1  0.761  0.819  0.695  1.0
  Ba  Ba9  1  0.191  0.504  0.500  1.0
  Y  Y10  1  0.162  0.831  0.500  1.0
  Y  Y11  1  0.172  0.004  0.002  1.0
  Y  Y12  1  0.672  0.998  0.001  1.0
  Y  Y13  1  0.667  0.497  0.839  1.0
  Y  Y14  1  0.330  0.504  0.163  1.0
  Y  Y15  1  0.830  0.169  0.499  1.0
  F  F16  1  0.937  0.838  0.342  1.0
  F  F17  1  0.090  0.834  0.660  1.0
  F  F18  1  0.018  0.646  0.503  1.0
  F  F19  1  0.476  0.373  0.221  1.0
  F  F20  1  0.383  0.778  0.632  1.0
  F  F21  1  0.055  0.010  0.810  1.0
  F  F22  1  0.415  0.995  0.002  1.0
  F  F23  1  0.907  0.996  0.996  1.0
  F  F24  1  0.556  0.807  0.015  1.0
  F  F25  1  0.882  0.630  0.779  1.0
  F  F26  1  0.866  0.359  0.502  1.0
  F  F27  1  0.448  0.291  0.504  1.0
  F  F28  1  0.146  0.497  0.708  1.0
  F  F29  1  0.049  0.808  0.991  1.0
  F  F30  1  0.748  0.015  0.194  1.0
  F  F31  1  0.761  0.371  0.783  1.0
  F  F32  1  0.240  0.503  0.966  1.0
  F  F33  1  0.280  0.033  0.499  1.0
  F  F34  1  0.256  0.657  0.168  1.0
  F  F35  1  0.748  0.165  0.654  1.0
  F  F36  1  0.434  0.345  0.834  1.0
  F  F37  1  0.747  0.967  0.500  1.0
  F  F38  1  0.779  0.499  0.034  1.0
  F  F39  1  0.615  0.633  0.223  1.0
  F  F40  1  0.258  0.782  0.366  1.0
  F  F41  1  0.240  0.193  0.007  1.0
  F  F42  1  0.546  0.988  0.807  1.0
  F  F43  1  0.647  0.709  0.502  1.0
  F  F44  1  0.938  0.496  0.290  1.0
  F  F45  1  0.091  0.339  0.166  1.0
  F  F46  1  0.372  0.504  0.356  1.0
  F  F47  1  0.739  0.198  0.989  1.0
  F  F48  1  0.236  0.994  0.194  1.0
  F  F49  1  0.973  0.222  0.368  1.0
  F  F50  1  0.505  0.499  0.642  1.0
  F  F51  1  0.594  0.657  0.839  1.0
  F  F52  1  0.588  0.164  0.341  1.0
  F  F53  1  0.104  0.220  0.632  1.0
[/CIF]
.
The compound described by Ba5Y3F19 crystallizes in the triclinic P1 space group. There are ten inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one F(11), one F(12), one F(28), one F(3), one F(31), and one F(35) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(10), one F(13), one F(17), one F(2), one F(36), one F(5), and one F(9) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one F(12), one F(18), one F(30), one F(33), one F(34), one F(37), and one F(4) atom. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one F(1), one F(14), one F(19), one F(23), one F(24), one F(25), and one F(29) atom. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one F(1), one F(15), one F(19), one F(22), one F(24), one F(25), and one F(28) atom. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one F(12), one F(16), one F(18), one F(20), one F(21), one F(27), and one F(38) atom. In the seventh Ba site, Ba(7) is bonded in a 7-coordinate geometry to one F(13), one F(16), one F(17), one F(20), one F(21), one F(26), and one F(38) atom. In the eighth Ba site, Ba(8) is bonded in a 7-coordinate geometry to one F(23), one F(29), one F(30), one F(32), one F(34), one F(37), and one F(4) atom. In the ninth Ba site, Ba(9) is bonded in a 7-coordinate geometry to one F(10), one F(2), one F(22), one F(28), one F(36), one F(5), and one F(6) atom. In the tenth Ba site, Ba(10) is bonded in a 6-coordinate geometry to one F(11), one F(13), one F(29), one F(3), one F(31), and one F(35) atom. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one F(1), one F(18), one F(2), one F(25), one F(3), and one F(5) atom. In the second Y site, Y(2) is bonded to one F(14), one F(26), one F(33), one F(6), one F(7), and one F(8) atom to form corner-sharing YF6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Y site, Y(3) is bonded to one F(15), one F(27), one F(32), one F(7), one F(8), and one F(9) atom to form corner-sharing YF6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Y site, Y(4) is bonded in an octahedral geometry to one F(10), one F(16), one F(21), one F(23), one F(35), and one F(36) atom. In the fifth Y site, Y(5) is bonded in an octahedral geometry to one F(17), one F(19), one F(24), one F(30), one F(31), and one F(4) atom. In the sixth Y site, Y(6) is bonded in an octahedral geometry to one F(11), one F(20), one F(22), one F(34), one F(37), and one F(38) atom. There are thirty-eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(9), and one Y(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(10), and one Y(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(8), and one Y(5) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(9), and one Y(1) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Ba(9) and one Y(2) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Y(2) and one Y(3) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Y(2) and one Y(3) atom. In the ninth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Y(3) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(9), and one Y(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(10), and one Y(6) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Ba(1), one Ba(3), and one Ba(6) atom. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Ba(10), one Ba(2), and one Ba(7) atom. In the fourteenth F site, F(14) is bonded in a bent 120 degrees geometry to one Ba(4) and one Y(2) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 120 degrees geometry to one Ba(5) and one Y(3) atom. In the sixteenth F site, F(16) is bonded in a 3-coordinate geometry to one Ba(6), one Ba(7), and one Y(4) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(7), and one Y(5) atom. In the eighteenth F site, F(18) is bonded in a trigonal planar geometry to one Ba(3), one Ba(6), and one Y(1) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(5) atom. In the twentieth F site, F(20) is bonded in a distorted trigonal non-coplanar geometry to one Ba(6), one Ba(7), and one Y(6) atom. In the twenty-first F site, F(21) is bonded in a 3-coordinate geometry to one Ba(6), one Ba(7), and one Y(4) atom. In the twenty-second F site, F(22) is bonded in a distorted trigonal planar geometry to one Ba(5), one Ba(9), and one Y(6) atom. In the twenty-third F site, F(23) is bonded in a trigonal planar geometry to one Ba(4), one Ba(8), and one Y(4) atom. In the twenty-fourth F site, F(24) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(5) atom. In the twenty-fifth F site, F(25) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the twenty-sixth F site, F(26) is bonded in a bent 120 degrees geometry to one Ba(7) and one Y(2) atom. In the twenty-seventh F site, F(27) is bonded in a bent 120 degrees geometry to one Ba(6) and one Y(3) atom. In the twenty-eighth F site, F(28) is bonded in a trigonal planar geometry to one Ba(1), one Ba(5), and one Ba(9) atom. In the twenty-ninth F site, F(29) is bonded in a trigonal planar geometry to one Ba(10), one Ba(4), and one Ba(8) atom. In the thirtieth F site, F(30) is bonded in a distorted trigonal non-coplanar geometry to one Ba(3), one Ba(8), and one Y(5) atom. In the thirty-first F site, F(31) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(10), and one Y(5) atom. In the thirty-second F site, F(32) is bonded in a bent 120 degrees geometry to one Ba(8) and one Y(3) atom. In the thirty-third F site, F(33) is bonded in a bent 120 degrees geometry to one Ba(3) and one Y(2) atom. In the thirty-fourth F site, F(34) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(8), and one Y(6) atom. In the thirty-fifth F site, F(35) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(10), and one Y(4) atom. In the thirty-sixth F site, F(36) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(9), and one Y(4) atom. In the thirty-seventh F site, F(37) is bonded in a distorted trigonal non-coplanar geometry to one Ba(3), one Ba(8), and one Y(6) atom. In the thirty-eighth F site, F(38) is bonded in a 3-coordinate geometry to one Ba(6), one Ba(7), and one Y(6) atom. is represented by the CIF card [CIF]
data_Ba5Y3F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.368
_cell_length_b   11.944
_cell_length_c   11.947
_cell_angle_alpha   82.955
_cell_angle_beta   110.500
_cell_angle_gamma   110.504
_symmetry_Int_Tables_number   1
_cell_volume   1047.658
_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  0.696  0.501  0.498  1.0
  Ba  Ba1  1  0.264  0.695  0.819  1.0
  Ba  Ba2  1  0.245  0.177  0.299  1.0
  Ba  Ba3  1  0.940  0.697  0.173  1.0
  Ba  Ba4  1  0.568  0.818  0.303  1.0
  Ba  Ba5  1  0.447  0.175  0.696  1.0
  Ba  Ba6  1  0.072  0.300  0.825  1.0
  Ba  Ba7  1  0.741  0.301  0.179  1.0
  Ba  Ba8  1  0.761  0.819  0.695  1.0
  Ba  Ba9  1  0.191  0.504  0.500  1.0
  Y  Y10  1  0.162  0.831  0.500  1.0
  Y  Y11  1  0.172  0.004  0.002  1.0
  Y  Y12  1  0.672  0.998  0.001  1.0
  Y  Y13  1  0.667  0.497  0.839  1.0
  Y  Y14  1  0.330  0.504  0.163  1.0
  Y  Y15  1  0.830  0.169  0.499  1.0
  F  F16  1  0.937  0.838  0.342  1.0
  F  F17  1  0.090  0.834  0.660  1.0
  F  F18  1  0.018  0.646  0.503  1.0
  F  F19  1  0.476  0.373  0.221  1.0
  F  F20  1  0.383  0.778  0.632  1.0
  F  F21  1  0.055  0.010  0.810  1.0
  F  F22  1  0.415  0.995  0.002  1.0
  F  F23  1  0.907  0.996  0.996  1.0
  F  F24  1  0.556  0.807  0.015  1.0
  F  F25  1  0.882  0.630  0.779  1.0
  F  F26  1  0.866  0.359  0.502  1.0
  F  F27  1  0.448  0.291  0.504  1.0
  F  F28  1  0.146  0.497  0.708  1.0
  F  F29  1  0.049  0.808  0.991  1.0
  F  F30  1  0.748  0.015  0.194  1.0
  F  F31  1  0.761  0.371  0.783  1.0
  F  F32  1  0.240  0.503  0.966  1.0
  F  F33  1  0.280  0.033  0.499  1.0
  F  F34  1  0.256  0.657  0.168  1.0
  F  F35  1  0.748  0.165  0.654  1.0
  F  F36  1  0.434  0.345  0.834  1.0
  F  F37  1  0.747  0.967  0.500  1.0
  F  F38  1  0.779  0.499  0.034  1.0
  F  F39  1  0.615  0.633  0.223  1.0
  F  F40  1  0.258  0.782  0.366  1.0
  F  F41  1  0.240  0.193  0.007  1.0
  F  F42  1  0.546  0.988  0.807  1.0
  F  F43  1  0.647  0.709  0.502  1.0
  F  F44  1  0.938  0.496  0.290  1.0
  F  F45  1  0.091  0.339  0.166  1.0
  F  F46  1  0.372  0.504  0.356  1.0
  F  F47  1  0.739  0.198  0.989  1.0
  F  F48  1  0.236  0.994  0.194  1.0
  F  F49  1  0.973  0.222  0.368  1.0
  F  F50  1  0.505  0.499  0.642  1.0
  F  F51  1  0.594  0.657  0.839  1.0
  F  F52  1  0.588  0.164  0.341  1.0
  F  F53  1  0.104  0.220  0.632  1.0
[/CIF]
.