The material structure described by BaY3F11 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), one F(9), and two equivalent F(5) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one F(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), one F(4), one F(6), and one F(9) atom. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(4), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Y(2), and one Y(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Y(1), and one Y(2) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Y(1), and one Y(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Y(3) atom. In the fifth F site, F(5) is bonded to two equivalent Ba(1), one Y(1), and one Y(3) atom to form edge-sharing FBa2Y2 tetrahedra. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ba(1), one Y(2), and one Y(3) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Y(1), and one Y(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Y(1), and one Y(3) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Ba(1), one Y(1), one Y(2), and one Y(3) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Ba(1), one Y(2), and one Y(3) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Y(1), and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaY3F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.738
_cell_length_b   8.254
_cell_length_c   8.287
_cell_angle_alpha   80.486
_cell_angle_beta   114.922
_cell_angle_gamma   116.247
_symmetry_Int_Tables_number   1
_cell_volume   430.343
_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  0.689  0.247  0.663  1.0
  Ba  Ba1  1  0.311  0.753  0.337  1.0
  Y  Y2  1  0.729  0.251  0.210  1.0
  Y  Y3  1  0.229  0.266  0.713  1.0
  Y  Y4  1  0.193  0.250  0.160  1.0
  Y  Y5  1  0.807  0.750  0.840  1.0
  Y  Y6  1  0.771  0.734  0.287  1.0
  Y  Y7  1  0.271  0.749  0.790  1.0
  F  F8  1  0.003  0.047  0.831  1.0
  F  F9  1  0.644  0.950  0.227  1.0
  F  F10  1  0.904  0.197  0.501  1.0
  F  F11  1  0.427  0.277  0.022  1.0
  F  F12  1  0.549  0.877  0.688  1.0
  F  F13  1  0.282  0.234  0.468  1.0
  F  F14  1  0.069  0.401  0.258  1.0
  F  F15  1  0.816  0.191  0.007  1.0
  F  F16  1  0.857  0.605  0.110  1.0
  F  F17  1  0.566  0.460  0.767  1.0
  F  F18  1  0.237  0.541  0.621  1.0
  F  F19  1  0.763  0.459  0.379  1.0
  F  F20  1  0.434  0.540  0.233  1.0
  F  F21  1  0.143  0.395  0.890  1.0
  F  F22  1  0.184  0.809  0.993  1.0
  F  F23  1  0.931  0.599  0.742  1.0
  F  F24  1  0.718  0.766  0.532  1.0
  F  F25  1  0.451  0.123  0.312  1.0
  F  F26  1  0.573  0.723  0.978  1.0
  F  F27  1  0.096  0.803  0.499  1.0
  F  F28  1  0.356  0.050  0.773  1.0
  F  F29  1  0.997  0.953  0.169  1.0
[/CIF]
.
The material structure described by BaY3F11 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), one F(9), and two equivalent F(5) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one F(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), one F(4), one F(6), and one F(9) atom. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(4), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Y(2), and one Y(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Y(1), and one Y(2) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Y(1), and one Y(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Y(3) atom. In the fifth F site, F(5) is bonded to two equivalent Ba(1), one Y(1), and one Y(3) atom to form edge-sharing FBa2Y2 tetrahedra. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ba(1), one Y(2), and one Y(3) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Y(1), and one Y(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Y(1), and one Y(3) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Ba(1), one Y(1), one Y(2), and one Y(3) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Ba(1), one Y(2), and one Y(3) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Y(1), and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaY3F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.738
_cell_length_b   8.254
_cell_length_c   8.287
_cell_angle_alpha   80.486
_cell_angle_beta   114.922
_cell_angle_gamma   116.247
_symmetry_Int_Tables_number   1
_cell_volume   430.343
_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  0.689  0.247  0.663  1.0
  Ba  Ba1  1  0.311  0.753  0.337  1.0
  Y  Y2  1  0.729  0.251  0.210  1.0
  Y  Y3  1  0.229  0.266  0.713  1.0
  Y  Y4  1  0.193  0.250  0.160  1.0
  Y  Y5  1  0.807  0.750  0.840  1.0
  Y  Y6  1  0.771  0.734  0.287  1.0
  Y  Y7  1  0.271  0.749  0.790  1.0
  F  F8  1  0.003  0.047  0.831  1.0
  F  F9  1  0.644  0.950  0.227  1.0
  F  F10  1  0.904  0.197  0.501  1.0
  F  F11  1  0.427  0.277  0.022  1.0
  F  F12  1  0.549  0.877  0.688  1.0
  F  F13  1  0.282  0.234  0.468  1.0
  F  F14  1  0.069  0.401  0.258  1.0
  F  F15  1  0.816  0.191  0.007  1.0
  F  F16  1  0.857  0.605  0.110  1.0
  F  F17  1  0.566  0.460  0.767  1.0
  F  F18  1  0.237  0.541  0.621  1.0
  F  F19  1  0.763  0.459  0.379  1.0
  F  F20  1  0.434  0.540  0.233  1.0
  F  F21  1  0.143  0.395  0.890  1.0
  F  F22  1  0.184  0.809  0.993  1.0
  F  F23  1  0.931  0.599  0.742  1.0
  F  F24  1  0.718  0.766  0.532  1.0
  F  F25  1  0.451  0.123  0.312  1.0
  F  F26  1  0.573  0.723  0.978  1.0
  F  F27  1  0.096  0.803  0.499  1.0
  F  F28  1  0.356  0.050  0.773  1.0
  F  F29  1  0.997  0.953  0.169  1.0
[/CIF]
.