The material structure described by (KBeF3)2NiH6F2 crystallizes in the monoclinic P2_1/c space group. The structure consists of two NiH6F2 clusters inside a KBeF3 framework. In each NiH6F2 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a 2-coordinate geometry to one Ni(1) and one H(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Ni(1) and one F(3) atom. In the third H site, H(3) is bonded in a 2-coordinate geometry to one Ni(1) and one H(1) atom. F(3) is bonded in a single-bond geometry to one H(2) atom. In the KBeF3 framework, K(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), and two equivalent F(4) atoms. Be(1) is bonded in a distorted trigonal planar geometry to one F(1), one F(2), and one F(4) atom. There are three inequivalent F sites. In the first F site, F(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Be(1) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one K(1) and one Be(1) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to one K(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Be2NiH6F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.068
_cell_length_b   7.864
_cell_length_c   11.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.543
_symmetry_Int_Tables_number   1
_cell_volume   519.111
_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
  K  K0  1  0.831  0.618  0.144  1.0
  K  K1  1  0.169  0.382  0.856  1.0
  K  K2  1  0.169  0.882  0.644  1.0
  K  K3  1  0.831  0.118  0.356  1.0
  Be  Be4  1  0.780  0.625  0.827  1.0
  Be  Be5  1  0.220  0.375  0.173  1.0
  Be  Be6  1  0.220  0.875  0.327  1.0
  Be  Be7  1  0.780  0.125  0.673  1.0
  Ni  Ni8  1  0.500  0.000  0.000  1.0
  Ni  Ni9  1  0.500  0.500  0.500  1.0
  H  H10  1  0.646  0.939  0.906  1.0
  H  H11  1  0.354  0.061  0.094  1.0
  H  H12  1  0.354  0.561  0.406  1.0
  H  H13  1  0.646  0.439  0.594  1.0
  H  H14  1  0.591  0.740  0.581  1.0
  H  H15  1  0.409  0.260  0.419  1.0
  H  H16  1  0.409  0.760  0.081  1.0
  H  H17  1  0.591  0.240  0.919  1.0
  H  H18  1  0.516  0.862  0.905  1.0
  H  H19  1  0.484  0.138  0.095  1.0
  H  H20  1  0.484  0.638  0.405  1.0
  H  H21  1  0.516  0.362  0.595  1.0
  F  F22  1  0.552  0.631  0.783  1.0
  F  F23  1  0.448  0.369  0.217  1.0
  F  F24  1  0.448  0.869  0.283  1.0
  F  F25  1  0.552  0.131  0.717  1.0
  F  F26  1  0.896  0.724  0.930  1.0
  F  F27  1  0.104  0.276  0.070  1.0
  F  F28  1  0.104  0.776  0.430  1.0
  F  F29  1  0.896  0.224  0.570  1.0
  F  F30  1  0.636  0.872  0.573  1.0
  F  F31  1  0.364  0.128  0.427  1.0
  F  F32  1  0.364  0.628  0.073  1.0
  F  F33  1  0.636  0.372  0.927  1.0
  F  F34  1  0.931  0.566  0.744  1.0
  F  F35  1  0.069  0.434  0.256  1.0
  F  F36  1  0.069  0.934  0.244  1.0
  F  F37  1  0.931  0.066  0.756  1.0
[/CIF]
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The material structure described by (KBeF3)2NiH6F2 crystallizes in the monoclinic P2_1/c space group. The structure consists of two NiH6F2 clusters inside a KBeF3 framework. In each NiH6F2 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a 2-coordinate geometry to one Ni(1) and one H(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Ni(1) and one F(3) atom. In the third H site, H(3) is bonded in a 2-coordinate geometry to one Ni(1) and one H(1) atom. F(3) is bonded in a single-bond geometry to one H(2) atom. In the KBeF3 framework, K(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), and two equivalent F(4) atoms. Be(1) is bonded in a distorted trigonal planar geometry to one F(1), one F(2), and one F(4) atom. There are three inequivalent F sites. In the first F site, F(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Be(1) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one K(1) and one Be(1) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to one K(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Be2NiH6F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.068
_cell_length_b   7.864
_cell_length_c   11.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.543
_symmetry_Int_Tables_number   1
_cell_volume   519.111
_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
  K  K0  1  0.831  0.618  0.144  1.0
  K  K1  1  0.169  0.382  0.856  1.0
  K  K2  1  0.169  0.882  0.644  1.0
  K  K3  1  0.831  0.118  0.356  1.0
  Be  Be4  1  0.780  0.625  0.827  1.0
  Be  Be5  1  0.220  0.375  0.173  1.0
  Be  Be6  1  0.220  0.875  0.327  1.0
  Be  Be7  1  0.780  0.125  0.673  1.0
  Ni  Ni8  1  0.500  0.000  0.000  1.0
  Ni  Ni9  1  0.500  0.500  0.500  1.0
  H  H10  1  0.646  0.939  0.906  1.0
  H  H11  1  0.354  0.061  0.094  1.0
  H  H12  1  0.354  0.561  0.406  1.0
  H  H13  1  0.646  0.439  0.594  1.0
  H  H14  1  0.591  0.740  0.581  1.0
  H  H15  1  0.409  0.260  0.419  1.0
  H  H16  1  0.409  0.760  0.081  1.0
  H  H17  1  0.591  0.240  0.919  1.0
  H  H18  1  0.516  0.862  0.905  1.0
  H  H19  1  0.484  0.138  0.095  1.0
  H  H20  1  0.484  0.638  0.405  1.0
  H  H21  1  0.516  0.362  0.595  1.0
  F  F22  1  0.552  0.631  0.783  1.0
  F  F23  1  0.448  0.369  0.217  1.0
  F  F24  1  0.448  0.869  0.283  1.0
  F  F25  1  0.552  0.131  0.717  1.0
  F  F26  1  0.896  0.724  0.930  1.0
  F  F27  1  0.104  0.276  0.070  1.0
  F  F28  1  0.104  0.776  0.430  1.0
  F  F29  1  0.896  0.224  0.570  1.0
  F  F30  1  0.636  0.872  0.573  1.0
  F  F31  1  0.364  0.128  0.427  1.0
  F  F32  1  0.364  0.628  0.073  1.0
  F  F33  1  0.636  0.372  0.927  1.0
  F  F34  1  0.931  0.566  0.744  1.0
  F  F35  1  0.069  0.434  0.256  1.0
  F  F36  1  0.069  0.934  0.244  1.0
  F  F37  1  0.931  0.066  0.756  1.0
[/CIF]
.