The material structure described by Ba2YF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(2), three equivalent F(1), and three equivalent F(3) atoms. Y(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Ba(1) and one Y(1) atom to form distorted FBa3Y tetrahedra that share corners with four equivalent F(2)Ba2Y2 tetrahedra, corners with five equivalent F(1)Ba3Y tetrahedra, corners with five equivalent F(3)Ba3Y tetrahedra,  an edgeedge with one F(1)Ba3Y tetrahedra, edges with three equivalent F(2)Ba2Y2 tetrahedra, and edges with three equivalent F(3)Ba3Y tetrahedra. In the second F site, F(2) is bonded to two equivalent Ba(1) and two equivalent Y(1) atoms to form distorted FBa2Y2 tetrahedra that share corners with four equivalent F(1)Ba3Y tetrahedra, corners with four equivalent F(3)Ba3Y tetrahedra, corners with six equivalent F(2)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba2Y2 tetrahedra, edges with three equivalent F(1)Ba3Y tetrahedra, and edges with three equivalent F(3)Ba3Y tetrahedra. In the third F site, F(3) is bonded to three equivalent Ba(1) and one Y(1) atom to form distorted FBa3Y tetrahedra that share corners with four equivalent F(2)Ba2Y2 tetrahedra, corners with five equivalent F(1)Ba3Y tetrahedra, corners with five equivalent F(3)Ba3Y tetrahedra,  an edgeedge with one F(3)Ba3Y tetrahedra, edges with three equivalent F(2)Ba2Y2 tetrahedra, and edges with three equivalent F(1)Ba3Y tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Y(1) atom. is represented by the CIF file [CIF]
data_Ba2YF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.704
_cell_length_b   7.704
_cell_length_c   8.232
_cell_angle_alpha   58.676
_cell_angle_beta   58.676
_cell_angle_gamma   52.415
_symmetry_Int_Tables_number   1
_cell_volume   315.549
_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  0.686  0.673  0.739  1.0
  Ba  Ba1  1  0.673  0.686  0.239  1.0
  Ba  Ba2  1  0.327  0.314  0.761  1.0
  Ba  Ba3  1  0.314  0.327  0.261  1.0
  Y  Y4  1  0.015  0.985  0.750  1.0
  Y  Y5  1  0.985  0.015  0.250  1.0
  F  F6  1  0.930  0.697  0.860  1.0
  F  F7  1  0.697  0.930  0.360  1.0
  F  F8  1  0.943  0.221  0.927  1.0
  F  F9  1  0.886  0.366  0.546  1.0
  F  F10  1  0.365  0.635  0.750  1.0
  F  F11  1  0.221  0.943  0.427  1.0
  F  F12  1  0.634  0.114  0.954  1.0
  F  F13  1  0.366  0.886  0.046  1.0
  F  F14  1  0.779  0.057  0.573  1.0
  F  F15  1  0.635  0.365  0.250  1.0
  F  F16  1  0.114  0.634  0.454  1.0
  F  F17  1  0.057  0.779  0.073  1.0
  F  F18  1  0.303  0.070  0.640  1.0
  F  F19  1  0.070  0.303  0.140  1.0
[/CIF]
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The material structure described by Ba2YF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(2), three equivalent F(1), and three equivalent F(3) atoms. Y(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Ba(1) and one Y(1) atom to form distorted FBa3Y tetrahedra that share corners with four equivalent F(2)Ba2Y2 tetrahedra, corners with five equivalent F(1)Ba3Y tetrahedra, corners with five equivalent F(3)Ba3Y tetrahedra,  an edgeedge with one F(1)Ba3Y tetrahedra, edges with three equivalent F(2)Ba2Y2 tetrahedra, and edges with three equivalent F(3)Ba3Y tetrahedra. In the second F site, F(2) is bonded to two equivalent Ba(1) and two equivalent Y(1) atoms to form distorted FBa2Y2 tetrahedra that share corners with four equivalent F(1)Ba3Y tetrahedra, corners with four equivalent F(3)Ba3Y tetrahedra, corners with six equivalent F(2)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba2Y2 tetrahedra, edges with three equivalent F(1)Ba3Y tetrahedra, and edges with three equivalent F(3)Ba3Y tetrahedra. In the third F site, F(3) is bonded to three equivalent Ba(1) and one Y(1) atom to form distorted FBa3Y tetrahedra that share corners with four equivalent F(2)Ba2Y2 tetrahedra, corners with five equivalent F(1)Ba3Y tetrahedra, corners with five equivalent F(3)Ba3Y tetrahedra,  an edgeedge with one F(3)Ba3Y tetrahedra, edges with three equivalent F(2)Ba2Y2 tetrahedra, and edges with three equivalent F(1)Ba3Y tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Y(1) atom. is represented by the CIF file [CIF]
data_Ba2YF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.704
_cell_length_b   7.704
_cell_length_c   8.232
_cell_angle_alpha   58.676
_cell_angle_beta   58.676
_cell_angle_gamma   52.415
_symmetry_Int_Tables_number   1
_cell_volume   315.549
_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  0.686  0.673  0.739  1.0
  Ba  Ba1  1  0.673  0.686  0.239  1.0
  Ba  Ba2  1  0.327  0.314  0.761  1.0
  Ba  Ba3  1  0.314  0.327  0.261  1.0
  Y  Y4  1  0.015  0.985  0.750  1.0
  Y  Y5  1  0.985  0.015  0.250  1.0
  F  F6  1  0.930  0.697  0.860  1.0
  F  F7  1  0.697  0.930  0.360  1.0
  F  F8  1  0.943  0.221  0.927  1.0
  F  F9  1  0.886  0.366  0.546  1.0
  F  F10  1  0.365  0.635  0.750  1.0
  F  F11  1  0.221  0.943  0.427  1.0
  F  F12  1  0.634  0.114  0.954  1.0
  F  F13  1  0.366  0.886  0.046  1.0
  F  F14  1  0.779  0.057  0.573  1.0
  F  F15  1  0.635  0.365  0.250  1.0
  F  F16  1  0.114  0.634  0.454  1.0
  F  F17  1  0.057  0.779  0.073  1.0
  F  F18  1  0.303  0.070  0.640  1.0
  F  F19  1  0.070  0.303  0.140  1.0
[/CIF]
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