The compound described by Ba2Y3(SiO4)2F5 crystallizes in the orthorhombic Pba2 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), one F(1), one F(2), and one F(3) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent F(3) atoms. In the second Y site, Y(2) is bonded to one O(2), one O(3), one O(4), one F(1), one F(3), and two equivalent F(2) atoms to form distorted YO3F4 pentagonal bipyramids that share corners with three equivalent Si(1)O4 tetrahedra and  a faceface with one Y(2)O3F4 pentagonal bipyramid. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Y(2)O3F4 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Ba(1), one Y(1), one Y(2), and one Si(1) atom to form distorted corner-sharing OBaY2Si tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Y(1), one Y(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(2), and one Si(1) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent Y(2) atoms. In the second F site, F(3) 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(1) is bonded in a distorted water-like geometry to two equivalent Ba(1) and two equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Ba2Y3Si2O8F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   8.993
_cell_length_c   12.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   593.813
_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  0.141  0.352  0.208  1.0
  Ba  Ba1  1  0.141  0.648  0.792  1.0
  Ba  Ba2  1  0.141  0.148  0.708  1.0
  Ba  Ba3  1  0.141  0.852  0.292  1.0
  Y  Y4  1  0.129  0.500  0.500  1.0
  Y  Y5  1  0.129  0.000  0.000  1.0
  Y  Y6  1  0.692  0.323  0.940  1.0
  Y  Y7  1  0.692  0.677  0.060  1.0
  Y  Y8  1  0.692  0.177  0.440  1.0
  Y  Y9  1  0.692  0.823  0.560  1.0
  Si  Si10  1  0.696  0.426  0.657  1.0
  Si  Si11  1  0.696  0.574  0.343  1.0
  Si  Si12  1  0.696  0.074  0.157  1.0
  Si  Si13  1  0.696  0.926  0.843  1.0
  O  O14  1  0.382  0.422  0.643  1.0
  O  O15  1  0.382  0.578  0.357  1.0
  O  O16  1  0.382  0.078  0.143  1.0
  O  O17  1  0.382  0.922  0.857  1.0
  O  O18  1  0.853  0.186  0.075  1.0
  O  O19  1  0.853  0.814  0.925  1.0
  O  O20  1  0.853  0.314  0.575  1.0
  O  O21  1  0.853  0.686  0.425  1.0
  O  O22  1  0.820  0.090  0.874  1.0
  O  O23  1  0.820  0.910  0.126  1.0
  O  O24  1  0.820  0.410  0.374  1.0
  O  O25  1  0.820  0.590  0.626  1.0
  O  O26  1  0.799  0.380  0.774  1.0
  O  O27  1  0.799  0.620  0.226  1.0
  O  O28  1  0.799  0.120  0.274  1.0
  O  O29  1  0.799  0.880  0.726  1.0
  F  F30  1  0.977  0.500  0.000  1.0
  F  F31  1  0.977  0.000  0.500  1.0
  F  F32  1  0.524  0.438  0.090  1.0
  F  F33  1  0.524  0.562  0.910  1.0
  F  F34  1  0.524  0.062  0.590  1.0
  F  F35  1  0.524  0.938  0.410  1.0
  F  F36  1  0.295  0.229  0.924  1.0
  F  F37  1  0.295  0.771  0.076  1.0
  F  F38  1  0.295  0.271  0.424  1.0
  F  F39  1  0.295  0.729  0.576  1.0
[/CIF]
.
The compound described by Ba2Y3(SiO4)2F5 crystallizes in the orthorhombic Pba2 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), one F(1), one F(2), and one F(3) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent F(3) atoms. In the second Y site, Y(2) is bonded to one O(2), one O(3), one O(4), one F(1), one F(3), and two equivalent F(2) atoms to form distorted YO3F4 pentagonal bipyramids that share corners with three equivalent Si(1)O4 tetrahedra and  a faceface with one Y(2)O3F4 pentagonal bipyramid. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Y(2)O3F4 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Ba(1), one Y(1), one Y(2), and one Si(1) atom to form distorted corner-sharing OBaY2Si tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Y(1), one Y(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(2), and one Si(1) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent Y(2) atoms. In the second F site, F(3) 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(1) is bonded in a distorted water-like geometry to two equivalent Ba(1) and two equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Ba2Y3Si2O8F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   8.993
_cell_length_c   12.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   593.813
_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  0.141  0.352  0.208  1.0
  Ba  Ba1  1  0.141  0.648  0.792  1.0
  Ba  Ba2  1  0.141  0.148  0.708  1.0
  Ba  Ba3  1  0.141  0.852  0.292  1.0
  Y  Y4  1  0.129  0.500  0.500  1.0
  Y  Y5  1  0.129  0.000  0.000  1.0
  Y  Y6  1  0.692  0.323  0.940  1.0
  Y  Y7  1  0.692  0.677  0.060  1.0
  Y  Y8  1  0.692  0.177  0.440  1.0
  Y  Y9  1  0.692  0.823  0.560  1.0
  Si  Si10  1  0.696  0.426  0.657  1.0
  Si  Si11  1  0.696  0.574  0.343  1.0
  Si  Si12  1  0.696  0.074  0.157  1.0
  Si  Si13  1  0.696  0.926  0.843  1.0
  O  O14  1  0.382  0.422  0.643  1.0
  O  O15  1  0.382  0.578  0.357  1.0
  O  O16  1  0.382  0.078  0.143  1.0
  O  O17  1  0.382  0.922  0.857  1.0
  O  O18  1  0.853  0.186  0.075  1.0
  O  O19  1  0.853  0.814  0.925  1.0
  O  O20  1  0.853  0.314  0.575  1.0
  O  O21  1  0.853  0.686  0.425  1.0
  O  O22  1  0.820  0.090  0.874  1.0
  O  O23  1  0.820  0.910  0.126  1.0
  O  O24  1  0.820  0.410  0.374  1.0
  O  O25  1  0.820  0.590  0.626  1.0
  O  O26  1  0.799  0.380  0.774  1.0
  O  O27  1  0.799  0.620  0.226  1.0
  O  O28  1  0.799  0.120  0.274  1.0
  O  O29  1  0.799  0.880  0.726  1.0
  F  F30  1  0.977  0.500  0.000  1.0
  F  F31  1  0.977  0.000  0.500  1.0
  F  F32  1  0.524  0.438  0.090  1.0
  F  F33  1  0.524  0.562  0.910  1.0
  F  F34  1  0.524  0.062  0.590  1.0
  F  F35  1  0.524  0.938  0.410  1.0
  F  F36  1  0.295  0.229  0.924  1.0
  F  F37  1  0.295  0.771  0.076  1.0
  F  F38  1  0.295  0.271  0.424  1.0
  F  F39  1  0.295  0.729  0.576  1.0
[/CIF]
.