The material described by K2Be2Ni(O3F4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms. Be(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. Ni(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one K(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one K(1) and one Ni(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ni(1) atom. There are four inequivalent F sites. In the first F site, F(4) is bonded in a 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 two equivalent 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. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to one K(1) and one Be(1) atom. is represented by the CIF file [CIF]
data_K2Be2Ni(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.515
_cell_length_b   8.194
_cell_length_c   11.146
_cell_angle_alpha   90.078
_cell_angle_beta   89.963
_cell_angle_gamma   108.673
_symmetry_Int_Tables_number   1
_cell_volume   563.703
_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  0.367  0.618  0.151  1.0
  K  K1  1  0.633  0.882  0.651  1.0
  K  K2  1  0.633  0.382  0.849  1.0
  K  K3  1  0.367  0.118  0.349  1.0
  Be  Be4  1  0.253  0.579  0.848  1.0
  Be  Be5  1  0.748  0.921  0.348  1.0
  Be  Be6  1  0.748  0.421  0.152  1.0
  Be  Be7  1  0.252  0.079  0.652  1.0
  Ni  Ni8  1  1.000  0.500  0.500  1.0
  Ni  Ni9  1  0.000  0.000  1.000  1.0
  O  O10  1  0.016  0.325  0.403  1.0
  O  O11  1  0.984  0.175  0.904  1.0
  O  O12  1  0.984  0.675  0.597  1.0
  O  O13  1  0.016  0.825  0.096  1.0
  O  O14  1  0.097  0.642  0.372  1.0
  O  O15  1  0.903  0.858  0.871  1.0
  O  O16  1  0.903  0.357  0.629  1.0
  O  O17  1  0.097  0.142  0.129  1.0
  O  O18  1  0.230  0.461  0.583  1.0
  O  O19  1  0.770  0.039  0.083  1.0
  O  O20  1  0.770  0.539  0.417  1.0
  O  O21  1  0.230  0.961  0.917  1.0
  F  F22  1  0.437  0.592  0.758  1.0
  F  F23  1  0.563  0.908  0.258  1.0
  F  F24  1  0.563  0.408  0.242  1.0
  F  F25  1  0.436  0.092  0.742  1.0
  F  F26  1  0.030  0.566  0.787  1.0
  F  F27  1  0.970  0.934  0.287  1.0
  F  F28  1  0.970  0.434  0.213  1.0
  F  F29  1  0.030  0.066  0.713  1.0
  F  F30  1  0.331  0.738  0.936  1.0
  F  F31  1  0.669  0.762  0.436  1.0
  F  F32  1  0.669  0.262  0.064  1.0
  F  F33  1  0.331  0.238  0.564  1.0
  F  F34  1  0.232  0.421  0.937  1.0
  F  F35  1  0.769  0.079  0.437  1.0
  F  F36  1  0.768  0.579  0.063  1.0
  F  F37  1  0.231  0.921  0.563  1.0
[/CIF]
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The material described by K2Be2Ni(O3F4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms. Be(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. Ni(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one K(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one K(1) and one Ni(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ni(1) atom. There are four inequivalent F sites. In the first F site, F(4) is bonded in a 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 two equivalent 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. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to one K(1) and one Be(1) atom. is represented by the CIF file [CIF]
data_K2Be2Ni(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.515
_cell_length_b   8.194
_cell_length_c   11.146
_cell_angle_alpha   90.078
_cell_angle_beta   89.963
_cell_angle_gamma   108.673
_symmetry_Int_Tables_number   1
_cell_volume   563.703
_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  0.367  0.618  0.151  1.0
  K  K1  1  0.633  0.882  0.651  1.0
  K  K2  1  0.633  0.382  0.849  1.0
  K  K3  1  0.367  0.118  0.349  1.0
  Be  Be4  1  0.253  0.579  0.848  1.0
  Be  Be5  1  0.748  0.921  0.348  1.0
  Be  Be6  1  0.748  0.421  0.152  1.0
  Be  Be7  1  0.252  0.079  0.652  1.0
  Ni  Ni8  1  1.000  0.500  0.500  1.0
  Ni  Ni9  1  0.000  0.000  1.000  1.0
  O  O10  1  0.016  0.325  0.403  1.0
  O  O11  1  0.984  0.175  0.904  1.0
  O  O12  1  0.984  0.675  0.597  1.0
  O  O13  1  0.016  0.825  0.096  1.0
  O  O14  1  0.097  0.642  0.372  1.0
  O  O15  1  0.903  0.858  0.871  1.0
  O  O16  1  0.903  0.357  0.629  1.0
  O  O17  1  0.097  0.142  0.129  1.0
  O  O18  1  0.230  0.461  0.583  1.0
  O  O19  1  0.770  0.039  0.083  1.0
  O  O20  1  0.770  0.539  0.417  1.0
  O  O21  1  0.230  0.961  0.917  1.0
  F  F22  1  0.437  0.592  0.758  1.0
  F  F23  1  0.563  0.908  0.258  1.0
  F  F24  1  0.563  0.408  0.242  1.0
  F  F25  1  0.436  0.092  0.742  1.0
  F  F26  1  0.030  0.566  0.787  1.0
  F  F27  1  0.970  0.934  0.287  1.0
  F  F28  1  0.970  0.434  0.213  1.0
  F  F29  1  0.030  0.066  0.713  1.0
  F  F30  1  0.331  0.738  0.936  1.0
  F  F31  1  0.669  0.762  0.436  1.0
  F  F32  1  0.669  0.262  0.064  1.0
  F  F33  1  0.331  0.238  0.564  1.0
  F  F34  1  0.232  0.421  0.937  1.0
  F  F35  1  0.769  0.079  0.437  1.0
  F  F36  1  0.768  0.579  0.063  1.0
  F  F37  1  0.231  0.921  0.563  1.0
[/CIF]
.