The crystal structure described by NbSn6OF15 crystallizes in the monoclinic Cc space group. Nb(1) is bonded in an octahedral geometry to one O(1), one F(10), one F(15), one F(3), one F(4), and one F(9) atom. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one F(12), one F(2), and one F(6) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one F(1), one F(11), and one F(5) atom. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to one F(11), one F(13), one F(5), and one F(7) atom. In the fourth Sn site, Sn(4) is bonded in a 4-coordinate geometry to one F(12), one F(14), one F(6), and one F(8) atom. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to one F(13), one F(15), one F(2), and one F(7) atom. In the sixth Sn site, Sn(6) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(14), one F(4), and one F(8) atom. O(1) is bonded in a distorted single-bond geometry to one Nb(1) and one Sn(6) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Sn(2) and one Sn(6) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(5) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Nb(1) and one Sn(6) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Sn(2) and one Sn(3) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(4) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Sn(3) and one Sn(5) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Sn(4) and one Sn(6) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Nb(1) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one Nb(1) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Sn(2) and one Sn(3) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Sn(1) and one Sn(4) atom. In the thirteenth F site, F(13) is bonded in a distorted bent 150 degrees geometry to one Sn(3) and one Sn(5) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Sn(4) and one Sn(6) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Sn(5) atom. is represented by the CIF file [CIF]
data_NbSn6OF15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.047
_cell_length_b   10.047
_cell_length_c   10.961
_cell_angle_alpha   90.749
_cell_angle_beta   90.749
_cell_angle_gamma   45.744
_symmetry_Int_Tables_number   1
_cell_volume   792.352
_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
  Nb  Nb0  1  0.672  0.336  0.762  1.0
  Nb  Nb1  1  0.336  0.672  0.262  1.0
  Sn  Sn2  1  0.253  0.452  0.536  1.0
  Sn  Sn3  1  0.549  0.746  0.968  1.0
  Sn  Sn4  1  0.746  0.549  0.468  1.0
  Sn  Sn5  1  0.452  0.253  0.036  1.0
  Sn  Sn6  1  0.710  0.876  0.684  1.0
  Sn  Sn7  1  0.125  0.289  0.819  1.0
  Sn  Sn8  1  0.289  0.125  0.319  1.0
  Sn  Sn9  1  0.876  0.710  0.184  1.0
  Sn  Sn10  1  0.107  0.745  0.908  1.0
  Sn  Sn11  1  0.257  0.891  0.593  1.0
  Sn  Sn12  1  0.891  0.257  0.093  1.0
  Sn  Sn13  1  0.745  0.107  0.408  1.0
  O  O14  1  0.706  0.396  0.907  1.0
  O  O15  1  0.396  0.706  0.407  1.0
  F  F16  1  0.513  0.819  0.552  1.0
  F  F17  1  0.186  0.487  0.950  1.0
  F  F18  1  0.487  0.186  0.450  1.0
  F  F19  1  0.819  0.513  0.052  1.0
  F  F20  1  0.420  0.444  0.797  1.0
  F  F21  1  0.558  0.573  0.684  1.0
  F  F22  1  0.573  0.558  0.184  1.0
  F  F23  1  0.444  0.420  0.297  1.0
  F  F24  1  0.868  0.611  0.592  1.0
  F  F25  1  0.390  0.132  0.911  1.0
  F  F26  1  0.132  0.390  0.411  1.0
  F  F27  1  0.611  0.868  0.092  1.0
  F  F28  1  0.885  0.850  0.020  1.0
  F  F29  1  0.151  0.114  0.479  1.0
  F  F30  1  0.114  0.151  0.979  1.0
  F  F31  1  0.850  0.885  0.520  1.0
  F  F32  1  0.778  0.090  0.808  1.0
  F  F33  1  0.906  0.222  0.685  1.0
  F  F34  1  0.222  0.906  0.185  1.0
  F  F35  1  0.090  0.778  0.308  1.0
  F  F36  1  0.716  0.717  0.838  1.0
  F  F37  1  0.283  0.282  0.662  1.0
  F  F38  1  0.282  0.283  0.162  1.0
  F  F39  1  0.717  0.716  0.338  1.0
  F  F40  1  0.986  0.711  0.758  1.0
  F  F41  1  0.288  0.015  0.744  1.0
  F  F42  1  0.015  0.288  0.244  1.0
  F  F43  1  0.711  0.986  0.258  1.0
  F  F44  1  0.608  0.287  0.592  1.0
  F  F45  1  0.287  0.608  0.092  1.0
[/CIF]
.
The crystal structure described by NbSn6OF15 crystallizes in the monoclinic Cc space group. Nb(1) is bonded in an octahedral geometry to one O(1), one F(10), one F(15), one F(3), one F(4), and one F(9) atom. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one F(12), one F(2), and one F(6) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one F(1), one F(11), and one F(5) atom. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to one F(11), one F(13), one F(5), and one F(7) atom. In the fourth Sn site, Sn(4) is bonded in a 4-coordinate geometry to one F(12), one F(14), one F(6), and one F(8) atom. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to one F(13), one F(15), one F(2), and one F(7) atom. In the sixth Sn site, Sn(6) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(14), one F(4), and one F(8) atom. O(1) is bonded in a distorted single-bond geometry to one Nb(1) and one Sn(6) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Sn(2) and one Sn(6) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(5) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Nb(1) and one Sn(6) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Sn(2) and one Sn(3) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(4) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Sn(3) and one Sn(5) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Sn(4) and one Sn(6) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Nb(1) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one Nb(1) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Sn(2) and one Sn(3) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Sn(1) and one Sn(4) atom. In the thirteenth F site, F(13) is bonded in a distorted bent 150 degrees geometry to one Sn(3) and one Sn(5) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Sn(4) and one Sn(6) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Sn(5) atom. is represented by the CIF file [CIF]
data_NbSn6OF15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.047
_cell_length_b   10.047
_cell_length_c   10.961
_cell_angle_alpha   90.749
_cell_angle_beta   90.749
_cell_angle_gamma   45.744
_symmetry_Int_Tables_number   1
_cell_volume   792.352
_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
  Nb  Nb0  1  0.672  0.336  0.762  1.0
  Nb  Nb1  1  0.336  0.672  0.262  1.0
  Sn  Sn2  1  0.253  0.452  0.536  1.0
  Sn  Sn3  1  0.549  0.746  0.968  1.0
  Sn  Sn4  1  0.746  0.549  0.468  1.0
  Sn  Sn5  1  0.452  0.253  0.036  1.0
  Sn  Sn6  1  0.710  0.876  0.684  1.0
  Sn  Sn7  1  0.125  0.289  0.819  1.0
  Sn  Sn8  1  0.289  0.125  0.319  1.0
  Sn  Sn9  1  0.876  0.710  0.184  1.0
  Sn  Sn10  1  0.107  0.745  0.908  1.0
  Sn  Sn11  1  0.257  0.891  0.593  1.0
  Sn  Sn12  1  0.891  0.257  0.093  1.0
  Sn  Sn13  1  0.745  0.107  0.408  1.0
  O  O14  1  0.706  0.396  0.907  1.0
  O  O15  1  0.396  0.706  0.407  1.0
  F  F16  1  0.513  0.819  0.552  1.0
  F  F17  1  0.186  0.487  0.950  1.0
  F  F18  1  0.487  0.186  0.450  1.0
  F  F19  1  0.819  0.513  0.052  1.0
  F  F20  1  0.420  0.444  0.797  1.0
  F  F21  1  0.558  0.573  0.684  1.0
  F  F22  1  0.573  0.558  0.184  1.0
  F  F23  1  0.444  0.420  0.297  1.0
  F  F24  1  0.868  0.611  0.592  1.0
  F  F25  1  0.390  0.132  0.911  1.0
  F  F26  1  0.132  0.390  0.411  1.0
  F  F27  1  0.611  0.868  0.092  1.0
  F  F28  1  0.885  0.850  0.020  1.0
  F  F29  1  0.151  0.114  0.479  1.0
  F  F30  1  0.114  0.151  0.979  1.0
  F  F31  1  0.850  0.885  0.520  1.0
  F  F32  1  0.778  0.090  0.808  1.0
  F  F33  1  0.906  0.222  0.685  1.0
  F  F34  1  0.222  0.906  0.185  1.0
  F  F35  1  0.090  0.778  0.308  1.0
  F  F36  1  0.716  0.717  0.838  1.0
  F  F37  1  0.283  0.282  0.662  1.0
  F  F38  1  0.282  0.283  0.162  1.0
  F  F39  1  0.717  0.716  0.338  1.0
  F  F40  1  0.986  0.711  0.758  1.0
  F  F41  1  0.288  0.015  0.744  1.0
  F  F42  1  0.015  0.288  0.244  1.0
  F  F43  1  0.711  0.986  0.258  1.0
  F  F44  1  0.608  0.287  0.592  1.0
  F  F45  1  0.287  0.608  0.092  1.0
[/CIF]
.