The material described by NH4SiNH3F5 is lead oxide structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two ammonium molecules and two SiNH3F5 clusters. In each SiNH3F5 cluster, Si(1) is bonded in an octahedral geometry to one N(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. N(2) is bonded in a distorted trigonal non-coplanar geometry to one Si(1), one H(5), one H(6), and one H(7) atom. There are three inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(7) is bonded in a single-bond geometry to one N(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Si(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Si(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Si(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Si(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Si(1) atom. is represented by the CIF file [CIF]
data_SiH7N2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.313
_cell_length_b   6.312
_cell_length_c   7.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.434
_symmetry_Int_Tables_number   1
_cell_volume   289.140
_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
  Si  Si0  1  0.748  0.751  0.272  1.0
  Si  Si1  1  0.248  0.251  0.728  1.0
  H  H2  1  0.876  0.219  0.915  1.0
  H  H3  1  0.614  0.274  0.920  1.0
  H  H4  1  0.225  0.617  0.919  1.0
  H  H5  1  0.271  0.878  0.917  1.0
  H  H6  1  0.114  0.774  0.080  1.0
  H  H7  1  0.376  0.719  0.085  1.0
  H  H8  1  0.771  0.378  0.083  1.0
  H  H9  1  0.725  0.117  0.081  1.0
  H  H10  1  0.610  0.639  0.575  1.0
  H  H11  1  0.868  0.666  0.589  1.0
  H  H12  1  0.706  0.879  0.593  1.0
  H  H13  1  0.110  0.139  0.425  1.0
  H  H14  1  0.206  0.379  0.407  1.0
  H  H15  1  0.368  0.166  0.411  1.0
  N  N16  1  0.747  0.248  0.000  1.0
  N  N17  1  0.247  0.748  1.000  1.0
  N  N18  1  0.732  0.733  0.534  1.0
  N  N19  1  0.232  0.233  0.466  1.0
  F  F20  1  0.762  0.769  0.038  1.0
  F  F21  1  0.262  0.269  0.962  1.0
  F  F22  1  0.945  0.932  0.293  1.0
  F  F23  1  0.550  0.571  0.254  1.0
  F  F24  1  0.934  0.548  0.271  1.0
  F  F25  1  0.561  0.955  0.276  1.0
  F  F26  1  0.050  0.071  0.746  1.0
  F  F27  1  0.445  0.432  0.707  1.0
  F  F28  1  0.061  0.455  0.724  1.0
  F  F29  1  0.434  0.048  0.729  1.0
[/CIF]
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The material described by NH4SiNH3F5 is lead oxide structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two ammonium molecules and two SiNH3F5 clusters. In each SiNH3F5 cluster, Si(1) is bonded in an octahedral geometry to one N(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. N(2) is bonded in a distorted trigonal non-coplanar geometry to one Si(1), one H(5), one H(6), and one H(7) atom. There are three inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(7) is bonded in a single-bond geometry to one N(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Si(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Si(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Si(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Si(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Si(1) atom. is represented by the CIF file [CIF]
data_SiH7N2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.313
_cell_length_b   6.312
_cell_length_c   7.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.434
_symmetry_Int_Tables_number   1
_cell_volume   289.140
_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
  Si  Si0  1  0.748  0.751  0.272  1.0
  Si  Si1  1  0.248  0.251  0.728  1.0
  H  H2  1  0.876  0.219  0.915  1.0
  H  H3  1  0.614  0.274  0.920  1.0
  H  H4  1  0.225  0.617  0.919  1.0
  H  H5  1  0.271  0.878  0.917  1.0
  H  H6  1  0.114  0.774  0.080  1.0
  H  H7  1  0.376  0.719  0.085  1.0
  H  H8  1  0.771  0.378  0.083  1.0
  H  H9  1  0.725  0.117  0.081  1.0
  H  H10  1  0.610  0.639  0.575  1.0
  H  H11  1  0.868  0.666  0.589  1.0
  H  H12  1  0.706  0.879  0.593  1.0
  H  H13  1  0.110  0.139  0.425  1.0
  H  H14  1  0.206  0.379  0.407  1.0
  H  H15  1  0.368  0.166  0.411  1.0
  N  N16  1  0.747  0.248  0.000  1.0
  N  N17  1  0.247  0.748  1.000  1.0
  N  N18  1  0.732  0.733  0.534  1.0
  N  N19  1  0.232  0.233  0.466  1.0
  F  F20  1  0.762  0.769  0.038  1.0
  F  F21  1  0.262  0.269  0.962  1.0
  F  F22  1  0.945  0.932  0.293  1.0
  F  F23  1  0.550  0.571  0.254  1.0
  F  F24  1  0.934  0.548  0.271  1.0
  F  F25  1  0.561  0.955  0.276  1.0
  F  F26  1  0.050  0.071  0.746  1.0
  F  F27  1  0.445  0.432  0.707  1.0
  F  F28  1  0.061  0.455  0.724  1.0
  F  F29  1  0.434  0.048  0.729  1.0
[/CIF]
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