The material described by Y16Se16F15 crystallizes in the monoclinic Pm space group. There are sixteen inequivalent Y sites. In the first Y site, Y(1) is bonded to one Se(3), one Se(9), two equivalent Se(12), one F(11), and two equivalent F(12) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the second Y site, Y(2) is bonded to one Se(10), one Se(4), two equivalent Se(11), one F(12), and two equivalent F(11) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the third Y site, Y(3) is bonded to one Se(1), one Se(15), two equivalent Se(8), one F(5), and two equivalent F(10) atoms to form distorted YSe4F3 pentagonal bipyramids that share corners with two equivalent Y(6)Se2F5 hexagonal pyramids, corners with two equivalent Y(11)Se4F3 pentagonal bipyramids, corners with two equivalent Y(8)Se4F3 pentagonal bipyramids, edges with two equivalent Y(14)Se6 octahedra, edges with two equivalent Y(16)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(3)Se4F3 pentagonal bipyramids. In the fourth Y site, Y(4) is bonded to one Se(16), one Se(2), two equivalent Se(7), one F(6), and two equivalent F(9) atoms to form distorted YSe4F3 pentagonal bipyramids that share corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(12)Se4F3 pentagonal bipyramids, corners with two equivalent Y(7)Se4F3 pentagonal bipyramids, edges with two equivalent Y(13)Se6 octahedra, edges with two equivalent Y(15)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(4)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 55°. In the fifth Y site, Y(5) is bonded to one Se(5), one Se(7), one F(1), one F(15), and two equivalent F(8) atoms to form distorted YSe2F4 octahedra that share corners with two equivalent Y(6)Se2F5 hexagonal pyramids, corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(13)Se6 octahedra, corners with two equivalent Y(14)Se6 octahedra, corners with two equivalent Y(4)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(12)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 54-59°. In the sixth Y site, Y(6) is bonded to one Se(6), one Se(8), one F(2), two equivalent F(15), and two equivalent F(7) atoms to form distorted YSe2F5 hexagonal pyramids that share corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(13)Se6 octahedra, corners with two equivalent Y(14)Se6 octahedra, corners with two equivalent Y(3)Se4F3 pentagonal bipyramids, edges with two equivalent Y(6)Se2F5 hexagonal pyramids, and edges with two equivalent Y(11)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-61°. In the seventh Y site, Y(7) is bonded to one Se(11), one Se(13), two equivalent Se(16), one F(13), and two equivalent F(4) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the eighth Y site, Y(8) is bonded to one Se(12), one Se(14), two equivalent Se(15), one F(14), and two equivalent F(3) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the ninth Y site, Y(9) is bonded to one Se(3), one Se(9), two equivalent Se(10), one F(3), and two equivalent F(14) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the tenth Y site, Y(10) is bonded to one Se(10), one Se(4), two equivalent Se(9), one F(4), and two equivalent F(13) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the eleventh Y site, Y(11) is bonded to one Se(1), one Se(15), two equivalent Se(14), one F(7), and two equivalent F(2) atoms to form distorted YSe4F3 pentagonal bipyramids that share corners with two equivalent Y(14)Se6 octahedra, corners with two equivalent Y(16)Se4F3 pentagonal bipyramids, corners with two equivalent Y(3)Se4F3 pentagonal bipyramids, edges with two equivalent Y(6)Se2F5 hexagonal pyramids, edges with two equivalent Y(11)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(8)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the twelfth Y site, Y(12) is bonded to one Se(16), one Se(2), two equivalent Se(13), one F(8), and two equivalent F(1) atoms to form distorted YSe4F3 pentagonal bipyramids that share corners with two equivalent Y(13)Se6 octahedra, corners with two equivalent Y(15)Se4F3 pentagonal bipyramids, corners with two equivalent Y(4)Se4F3 pentagonal bipyramids, edges with two equivalent Y(5)Se2F4 octahedra, edges with two equivalent Y(12)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(7)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the thirteenth Y site, Y(13) is bonded to one Se(5), one Se(7), two equivalent Se(2), and two equivalent Se(6) atoms to form YSe6 octahedra that share corners with two equivalent Y(6)Se2F5 hexagonal pyramids, corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(12)Se4F3 pentagonal bipyramids, edges with two equivalent Y(13)Se6 octahedra, edges with two equivalent Y(14)Se6 octahedra, and edges with two equivalent Y(4)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 56-59°. In the fourteenth Y site, Y(14) is bonded to one Se(6), one Se(8), two equivalent Se(1), and two equivalent Se(5) atoms to form YSe6 octahedra that share corners with two equivalent Y(6)Se2F5 hexagonal pyramids, corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(11)Se4F3 pentagonal bipyramids, edges with two equivalent Y(13)Se6 octahedra, edges with two equivalent Y(14)Se6 octahedra, and edges with two equivalent Y(3)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the fifteenth Y site, Y(15) is bonded to one Se(11), one Se(13), two equivalent Se(4), one F(9), and two equivalent F(6) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the sixteenth Y site, Y(16) is bonded to one Se(12), one Se(14), two equivalent Se(3), one F(10), and two equivalent F(5) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Y(11), one Y(3), and two equivalent Y(14) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Y(12), one Y(4), and two equivalent Y(13) atoms. In the third Se site, Se(3) is bonded in a rectangular see-saw-like geometry to one Y(1), one Y(9), and two equivalent Y(16) atoms. In the fourth Se site, Se(4) is bonded in a rectangular see-saw-like geometry to one Y(10), one Y(2), and two equivalent Y(15) atoms. In the fifth Se site, Se(5) is bonded in a rectangular see-saw-like geometry to one Y(13), one Y(5), and two equivalent Y(14) atoms. In the sixth Se site, Se(6) is bonded in a rectangular see-saw-like geometry to one Y(14), one Y(6), and two equivalent Y(13) atoms. In the seventh Se site, Se(7) is bonded in a rectangular see-saw-like geometry to one Y(13), one Y(5), and two equivalent Y(4) atoms. In the eighth Se site, Se(8) is bonded in a rectangular see-saw-like geometry to one Y(14), one Y(6), and two equivalent Y(3) atoms. In the ninth Se site, Se(9) is bonded in a rectangular see-saw-like geometry to one Y(1), one Y(9), and two equivalent Y(10) atoms. In the tenth Se site, Se(10) is bonded in a rectangular see-saw-like geometry to one Y(10), one Y(2), and two equivalent Y(9) atoms. In the eleventh Se site, Se(11) is bonded in a rectangular see-saw-like geometry to one Y(15), one Y(7), and two equivalent Y(2) atoms. In the twelfth Se site, Se(12) is bonded in a rectangular see-saw-like geometry to one Y(16), one Y(8), and two equivalent Y(1) atoms. In the thirteenth Se site, Se(13) is bonded in a rectangular see-saw-like geometry to one Y(15), one Y(7), and two equivalent Y(12) atoms. In the fourteenth Se site, Se(14) is bonded in a rectangular see-saw-like geometry to one Y(16), one Y(8), and two equivalent Y(11) atoms. In the fifteenth Se site, Se(15) is bonded in a rectangular see-saw-like geometry to one Y(11), one Y(3), and two equivalent Y(8) atoms. In the sixteenth Se site, Se(16) is bonded in a rectangular see-saw-like geometry to one Y(12), one Y(4), and two equivalent Y(7) atoms. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Y(5) and two equivalent Y(12) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Y(6) and two equivalent Y(11) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Y(9) and two equivalent Y(8) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Y(10) and two equivalent Y(7) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Y(3) and two equivalent Y(16) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Y(4) and two equivalent Y(15) atoms. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Y(11) and two equivalent Y(6) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Y(12) and two equivalent Y(5) atoms. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Y(15) and two equivalent Y(4) atoms. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Y(16) and two equivalent Y(3) atoms. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Y(2) atoms. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Y(2) and two equivalent Y(1) atoms. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Y(7) and two equivalent Y(10) atoms. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Y(8) and two equivalent Y(9) atoms. In the fifteenth F site, F(15) is bonded in a trigonal planar geometry to one Y(5) and two equivalent Y(6) atoms. is represented by the CIF card [CIF]
data_Y16Se16F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.136
_cell_length_b   10.023
_cell_length_c   25.683
_cell_angle_alpha   82.348
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1055.153
_cell_formula_units_Z   1
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
  Y  Y0  1  0.500  0.400  0.559  1.0
  Y  Y1  1  0.000  0.600  0.441  1.0
  Y  Y2  1  0.500  0.317  0.808  1.0
  Y  Y3  1  0.000  0.684  0.192  1.0
  Y  Y4  1  0.500  0.063  0.062  1.0
  Y  Y5  1  0.000  0.943  0.939  1.0
  Y  Y6  1  0.500  0.984  0.316  1.0
  Y  Y7  1  0.000  0.015  0.684  1.0
  Y  Y8  1  0.500  0.898  0.566  1.0
  Y  Y9  1  0.000  0.101  0.434  1.0
  Y  Y10  1  0.500  0.819  0.819  1.0
  Y  Y11  1  0.000  0.181  0.182  1.0
  Y  Y12  1  0.500  0.568  0.062  1.0
  Y  Y13  1  0.000  0.431  0.938  1.0
  Y  Y14  1  0.500  0.482  0.309  1.0
  Y  Y15  1  0.000  0.518  0.691  1.0
  Se  Se16  1  0.500  0.540  0.867  1.0
  Se  Se17  1  0.000  0.459  0.134  1.0
  Se  Se18  1  0.500  0.626  0.616  1.0
  Se  Se19  1  0.000  0.374  0.384  1.0
  Se  Se20  1  0.500  0.332  0.010  1.0
  Se  Se21  1  0.000  0.671  0.991  1.0
  Se  Se22  1  0.500  0.797  0.118  1.0
  Se  Se23  1  0.000  0.204  0.882  1.0
  Se  Se24  1  0.500  0.162  0.509  1.0
  Se  Se25  1  0.000  0.838  0.491  1.0
  Se  Se26  1  0.500  0.709  0.366  1.0
  Se  Se27  1  0.000  0.291  0.634  1.0
  Se  Se28  1  0.500  0.246  0.257  1.0
  Se  Se29  1  0.000  0.754  0.743  1.0
  Se  Se30  1  0.500  0.079  0.758  1.0
  Se  Se31  1  0.000  0.922  0.242  1.0
  F  F32  1  0.500  0.150  0.145  1.0
  F  F33  1  0.000  0.850  0.854  1.0
  F  F34  1  0.500  0.982  0.648  1.0
  F  F35  1  0.000  0.018  0.352  1.0
  F  F36  1  0.500  0.458  0.727  1.0
  F  F37  1  0.000  0.542  0.273  1.0
  F  F38  1  0.500  0.900  0.900  1.0
  F  F39  1  0.000  0.098  0.099  1.0
  F  F40  1  0.500  0.624  0.227  1.0
  F  F41  1  0.000  0.376  0.772  1.0
  F  F42  1  0.500  0.552  0.480  1.0
  F  F43  1  0.000  0.448  0.520  1.0
  F  F44  1  0.500  0.069  0.398  1.0
  F  F45  1  0.000  0.931  0.602  1.0
  F  F46  1  0.500  0.989  0.983  1.0
[/CIF]
.
The material described by Y16Se16F15 crystallizes in the monoclinic Pm space group. There are sixteen inequivalent Y sites. In the first Y site, Y(1) is bonded to one Se(3), one Se(9), two equivalent Se(12), one F(11), and two equivalent F(12) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the second Y site, Y(2) is bonded to one Se(10), one Se(4), two equivalent Se(11), one F(12), and two equivalent F(11) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the third Y site, Y(3) is bonded to one Se(1), one Se(15), two equivalent Se(8), one F(5), and two equivalent F(10) atoms to form distorted YSe4F3 pentagonal bipyramids that share corners with two equivalent Y(6)Se2F5 hexagonal pyramids, corners with two equivalent Y(11)Se4F3 pentagonal bipyramids, corners with two equivalent Y(8)Se4F3 pentagonal bipyramids, edges with two equivalent Y(14)Se6 octahedra, edges with two equivalent Y(16)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(3)Se4F3 pentagonal bipyramids. In the fourth Y site, Y(4) is bonded to one Se(16), one Se(2), two equivalent Se(7), one F(6), and two equivalent F(9) atoms to form distorted YSe4F3 pentagonal bipyramids that share corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(12)Se4F3 pentagonal bipyramids, corners with two equivalent Y(7)Se4F3 pentagonal bipyramids, edges with two equivalent Y(13)Se6 octahedra, edges with two equivalent Y(15)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(4)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 55°. In the fifth Y site, Y(5) is bonded to one Se(5), one Se(7), one F(1), one F(15), and two equivalent F(8) atoms to form distorted YSe2F4 octahedra that share corners with two equivalent Y(6)Se2F5 hexagonal pyramids, corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(13)Se6 octahedra, corners with two equivalent Y(14)Se6 octahedra, corners with two equivalent Y(4)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(12)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 54-59°. In the sixth Y site, Y(6) is bonded to one Se(6), one Se(8), one F(2), two equivalent F(15), and two equivalent F(7) atoms to form distorted YSe2F5 hexagonal pyramids that share corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(13)Se6 octahedra, corners with two equivalent Y(14)Se6 octahedra, corners with two equivalent Y(3)Se4F3 pentagonal bipyramids, edges with two equivalent Y(6)Se2F5 hexagonal pyramids, and edges with two equivalent Y(11)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-61°. In the seventh Y site, Y(7) is bonded to one Se(11), one Se(13), two equivalent Se(16), one F(13), and two equivalent F(4) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the eighth Y site, Y(8) is bonded to one Se(12), one Se(14), two equivalent Se(15), one F(14), and two equivalent F(3) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the ninth Y site, Y(9) is bonded to one Se(3), one Se(9), two equivalent Se(10), one F(3), and two equivalent F(14) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the tenth Y site, Y(10) is bonded to one Se(10), one Se(4), two equivalent Se(9), one F(4), and two equivalent F(13) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the eleventh Y site, Y(11) is bonded to one Se(1), one Se(15), two equivalent Se(14), one F(7), and two equivalent F(2) atoms to form distorted YSe4F3 pentagonal bipyramids that share corners with two equivalent Y(14)Se6 octahedra, corners with two equivalent Y(16)Se4F3 pentagonal bipyramids, corners with two equivalent Y(3)Se4F3 pentagonal bipyramids, edges with two equivalent Y(6)Se2F5 hexagonal pyramids, edges with two equivalent Y(11)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(8)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the twelfth Y site, Y(12) is bonded to one Se(16), one Se(2), two equivalent Se(13), one F(8), and two equivalent F(1) atoms to form distorted YSe4F3 pentagonal bipyramids that share corners with two equivalent Y(13)Se6 octahedra, corners with two equivalent Y(15)Se4F3 pentagonal bipyramids, corners with two equivalent Y(4)Se4F3 pentagonal bipyramids, edges with two equivalent Y(5)Se2F4 octahedra, edges with two equivalent Y(12)Se4F3 pentagonal bipyramids, and edges with two equivalent Y(7)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the thirteenth Y site, Y(13) is bonded to one Se(5), one Se(7), two equivalent Se(2), and two equivalent Se(6) atoms to form YSe6 octahedra that share corners with two equivalent Y(6)Se2F5 hexagonal pyramids, corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(12)Se4F3 pentagonal bipyramids, edges with two equivalent Y(13)Se6 octahedra, edges with two equivalent Y(14)Se6 octahedra, and edges with two equivalent Y(4)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 56-59°. In the fourteenth Y site, Y(14) is bonded to one Se(6), one Se(8), two equivalent Se(1), and two equivalent Se(5) atoms to form YSe6 octahedra that share corners with two equivalent Y(6)Se2F5 hexagonal pyramids, corners with two equivalent Y(5)Se2F4 octahedra, corners with two equivalent Y(11)Se4F3 pentagonal bipyramids, edges with two equivalent Y(13)Se6 octahedra, edges with two equivalent Y(14)Se6 octahedra, and edges with two equivalent Y(3)Se4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the fifteenth Y site, Y(15) is bonded to one Se(11), one Se(13), two equivalent Se(4), one F(9), and two equivalent F(6) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. In the sixteenth Y site, Y(16) is bonded to one Se(12), one Se(14), two equivalent Se(3), one F(10), and two equivalent F(5) atoms to form a mixture of distorted corner and edge-sharing YSe4F3 pentagonal bipyramids. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Y(11), one Y(3), and two equivalent Y(14) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Y(12), one Y(4), and two equivalent Y(13) atoms. In the third Se site, Se(3) is bonded in a rectangular see-saw-like geometry to one Y(1), one Y(9), and two equivalent Y(16) atoms. In the fourth Se site, Se(4) is bonded in a rectangular see-saw-like geometry to one Y(10), one Y(2), and two equivalent Y(15) atoms. In the fifth Se site, Se(5) is bonded in a rectangular see-saw-like geometry to one Y(13), one Y(5), and two equivalent Y(14) atoms. In the sixth Se site, Se(6) is bonded in a rectangular see-saw-like geometry to one Y(14), one Y(6), and two equivalent Y(13) atoms. In the seventh Se site, Se(7) is bonded in a rectangular see-saw-like geometry to one Y(13), one Y(5), and two equivalent Y(4) atoms. In the eighth Se site, Se(8) is bonded in a rectangular see-saw-like geometry to one Y(14), one Y(6), and two equivalent Y(3) atoms. In the ninth Se site, Se(9) is bonded in a rectangular see-saw-like geometry to one Y(1), one Y(9), and two equivalent Y(10) atoms. In the tenth Se site, Se(10) is bonded in a rectangular see-saw-like geometry to one Y(10), one Y(2), and two equivalent Y(9) atoms. In the eleventh Se site, Se(11) is bonded in a rectangular see-saw-like geometry to one Y(15), one Y(7), and two equivalent Y(2) atoms. In the twelfth Se site, Se(12) is bonded in a rectangular see-saw-like geometry to one Y(16), one Y(8), and two equivalent Y(1) atoms. In the thirteenth Se site, Se(13) is bonded in a rectangular see-saw-like geometry to one Y(15), one Y(7), and two equivalent Y(12) atoms. In the fourteenth Se site, Se(14) is bonded in a rectangular see-saw-like geometry to one Y(16), one Y(8), and two equivalent Y(11) atoms. In the fifteenth Se site, Se(15) is bonded in a rectangular see-saw-like geometry to one Y(11), one Y(3), and two equivalent Y(8) atoms. In the sixteenth Se site, Se(16) is bonded in a rectangular see-saw-like geometry to one Y(12), one Y(4), and two equivalent Y(7) atoms. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Y(5) and two equivalent Y(12) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Y(6) and two equivalent Y(11) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Y(9) and two equivalent Y(8) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Y(10) and two equivalent Y(7) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Y(3) and two equivalent Y(16) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Y(4) and two equivalent Y(15) atoms. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Y(11) and two equivalent Y(6) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Y(12) and two equivalent Y(5) atoms. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Y(15) and two equivalent Y(4) atoms. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Y(16) and two equivalent Y(3) atoms. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Y(2) atoms. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Y(2) and two equivalent Y(1) atoms. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Y(7) and two equivalent Y(10) atoms. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Y(8) and two equivalent Y(9) atoms. In the fifteenth F site, F(15) is bonded in a trigonal planar geometry to one Y(5) and two equivalent Y(6) atoms. is represented by the CIF card [CIF]
data_Y16Se16F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.136
_cell_length_b   10.023
_cell_length_c   25.683
_cell_angle_alpha   82.348
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1055.153
_cell_formula_units_Z   1
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
  Y  Y0  1  0.500  0.400  0.559  1.0
  Y  Y1  1  0.000  0.600  0.441  1.0
  Y  Y2  1  0.500  0.317  0.808  1.0
  Y  Y3  1  0.000  0.684  0.192  1.0
  Y  Y4  1  0.500  0.063  0.062  1.0
  Y  Y5  1  0.000  0.943  0.939  1.0
  Y  Y6  1  0.500  0.984  0.316  1.0
  Y  Y7  1  0.000  0.015  0.684  1.0
  Y  Y8  1  0.500  0.898  0.566  1.0
  Y  Y9  1  0.000  0.101  0.434  1.0
  Y  Y10  1  0.500  0.819  0.819  1.0
  Y  Y11  1  0.000  0.181  0.182  1.0
  Y  Y12  1  0.500  0.568  0.062  1.0
  Y  Y13  1  0.000  0.431  0.938  1.0
  Y  Y14  1  0.500  0.482  0.309  1.0
  Y  Y15  1  0.000  0.518  0.691  1.0
  Se  Se16  1  0.500  0.540  0.867  1.0
  Se  Se17  1  0.000  0.459  0.134  1.0
  Se  Se18  1  0.500  0.626  0.616  1.0
  Se  Se19  1  0.000  0.374  0.384  1.0
  Se  Se20  1  0.500  0.332  0.010  1.0
  Se  Se21  1  0.000  0.671  0.991  1.0
  Se  Se22  1  0.500  0.797  0.118  1.0
  Se  Se23  1  0.000  0.204  0.882  1.0
  Se  Se24  1  0.500  0.162  0.509  1.0
  Se  Se25  1  0.000  0.838  0.491  1.0
  Se  Se26  1  0.500  0.709  0.366  1.0
  Se  Se27  1  0.000  0.291  0.634  1.0
  Se  Se28  1  0.500  0.246  0.257  1.0
  Se  Se29  1  0.000  0.754  0.743  1.0
  Se  Se30  1  0.500  0.079  0.758  1.0
  Se  Se31  1  0.000  0.922  0.242  1.0
  F  F32  1  0.500  0.150  0.145  1.0
  F  F33  1  0.000  0.850  0.854  1.0
  F  F34  1  0.500  0.982  0.648  1.0
  F  F35  1  0.000  0.018  0.352  1.0
  F  F36  1  0.500  0.458  0.727  1.0
  F  F37  1  0.000  0.542  0.273  1.0
  F  F38  1  0.500  0.900  0.900  1.0
  F  F39  1  0.000  0.098  0.099  1.0
  F  F40  1  0.500  0.624  0.227  1.0
  F  F41  1  0.000  0.376  0.772  1.0
  F  F42  1  0.500  0.552  0.480  1.0
  F  F43  1  0.000  0.448  0.520  1.0
  F  F44  1  0.500  0.069  0.398  1.0
  F  F45  1  0.000  0.931  0.602  1.0
  F  F46  1  0.500  0.989  0.983  1.0
[/CIF]
.