The material described by (BeF4)2NiO4(NO)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules, four BeF4 clusters, and two NiO4 clusters. In each BeF4 cluster, Be(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one Be(1) atom. In the second F site, F(1) is bonded in a single-bond geometry to one Be(1) atom. In the third F site, F(2) is bonded in a single-bond geometry to one Be(1) atom. In the fourth F site, F(3) is bonded in a single-bond geometry to one Be(1) atom. In each NiO4 cluster, Ni(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ni(1) atom. is represented by the CIF card [CIF]
data_Be2NiN2(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   7.560
_cell_length_c   12.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.826
_symmetry_Int_Tables_number   1
_cell_volume   500.901
_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
  Be  Be0  1  0.713  0.549  0.865  1.0
  Be  Be1  1  0.287  0.451  0.135  1.0
  Be  Be2  1  0.287  0.951  0.365  1.0
  Be  Be3  1  0.713  0.049  0.635  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  N  N6  1  0.825  0.620  0.220  1.0
  N  N7  1  0.175  0.380  0.780  1.0
  N  N8  1  0.175  0.880  0.720  1.0
  N  N9  1  0.825  0.120  0.280  1.0
  O  O10  1  0.792  0.005  0.939  1.0
  O  O11  1  0.208  0.995  0.061  1.0
  O  O12  1  0.208  0.495  0.439  1.0
  O  O13  1  0.792  0.505  0.561  1.0
  O  O14  1  0.432  0.688  0.581  1.0
  O  O15  1  0.568  0.312  0.419  1.0
  O  O16  1  0.568  0.812  0.081  1.0
  O  O17  1  0.432  0.188  0.919  1.0
  O  O18  1  0.215  0.843  0.807  1.0
  O  O19  1  0.785  0.157  0.193  1.0
  O  O20  1  0.785  0.657  0.307  1.0
  O  O21  1  0.215  0.343  0.693  1.0
  F  F22  1  0.896  0.553  0.765  1.0
  F  F23  1  0.104  0.447  0.235  1.0
  F  F24  1  0.104  0.947  0.265  1.0
  F  F25  1  0.896  0.053  0.735  1.0
  F  F26  1  0.799  0.714  0.943  1.0
  F  F27  1  0.201  0.286  0.057  1.0
  F  F28  1  0.201  0.786  0.443  1.0
  F  F29  1  0.799  0.214  0.557  1.0
  F  F30  1  0.738  0.874  0.567  1.0
  F  F31  1  0.262  0.126  0.433  1.0
  F  F32  1  0.262  0.626  0.067  1.0
  F  F33  1  0.738  0.374  0.933  1.0
  F  F34  1  0.453  0.569  0.821  1.0
  F  F35  1  0.547  0.431  0.179  1.0
  F  F36  1  0.547  0.931  0.321  1.0
  F  F37  1  0.453  0.069  0.679  1.0
[/CIF]
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The material described by (BeF4)2NiO4(NO)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules, four BeF4 clusters, and two NiO4 clusters. In each BeF4 cluster, Be(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one Be(1) atom. In the second F site, F(1) is bonded in a single-bond geometry to one Be(1) atom. In the third F site, F(2) is bonded in a single-bond geometry to one Be(1) atom. In the fourth F site, F(3) is bonded in a single-bond geometry to one Be(1) atom. In each NiO4 cluster, Ni(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ni(1) atom. is represented by the CIF card [CIF]
data_Be2NiN2(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   7.560
_cell_length_c   12.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.826
_symmetry_Int_Tables_number   1
_cell_volume   500.901
_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
  Be  Be0  1  0.713  0.549  0.865  1.0
  Be  Be1  1  0.287  0.451  0.135  1.0
  Be  Be2  1  0.287  0.951  0.365  1.0
  Be  Be3  1  0.713  0.049  0.635  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  N  N6  1  0.825  0.620  0.220  1.0
  N  N7  1  0.175  0.380  0.780  1.0
  N  N8  1  0.175  0.880  0.720  1.0
  N  N9  1  0.825  0.120  0.280  1.0
  O  O10  1  0.792  0.005  0.939  1.0
  O  O11  1  0.208  0.995  0.061  1.0
  O  O12  1  0.208  0.495  0.439  1.0
  O  O13  1  0.792  0.505  0.561  1.0
  O  O14  1  0.432  0.688  0.581  1.0
  O  O15  1  0.568  0.312  0.419  1.0
  O  O16  1  0.568  0.812  0.081  1.0
  O  O17  1  0.432  0.188  0.919  1.0
  O  O18  1  0.215  0.843  0.807  1.0
  O  O19  1  0.785  0.157  0.193  1.0
  O  O20  1  0.785  0.657  0.307  1.0
  O  O21  1  0.215  0.343  0.693  1.0
  F  F22  1  0.896  0.553  0.765  1.0
  F  F23  1  0.104  0.447  0.235  1.0
  F  F24  1  0.104  0.947  0.265  1.0
  F  F25  1  0.896  0.053  0.735  1.0
  F  F26  1  0.799  0.714  0.943  1.0
  F  F27  1  0.201  0.286  0.057  1.0
  F  F28  1  0.201  0.786  0.443  1.0
  F  F29  1  0.799  0.214  0.557  1.0
  F  F30  1  0.738  0.874  0.567  1.0
  F  F31  1  0.262  0.126  0.433  1.0
  F  F32  1  0.262  0.626  0.067  1.0
  F  F33  1  0.738  0.374  0.933  1.0
  F  F34  1  0.453  0.569  0.821  1.0
  F  F35  1  0.547  0.431  0.179  1.0
  F  F36  1  0.547  0.931  0.321  1.0
  F  F37  1  0.453  0.069  0.679  1.0
[/CIF]
.