The material described by Rb2Be2Ni(O3F4)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one F(1), one F(3), two equivalent F(2), 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 Rb(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(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 distorted single-bond geometry to two equivalent Rb(1) and one Be(1) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Rb(1) and one Be(1) atom. In the third F site, F(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one Be(1) atom. In the fourth F site, F(3) is bonded in a single-bond geometry to one Rb(1) and one Be(1) atom. is represented by the CIF card [CIF]
data_Rb2Be2Ni(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   8.440
_cell_length_c   11.664
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.807
_symmetry_Int_Tables_number   1
_cell_volume   575.075
_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
  Rb  Rb0  1  0.847  0.612  0.145  1.0
  Rb  Rb1  1  0.153  0.388  0.855  1.0
  Rb  Rb2  1  0.153  0.888  0.645  1.0
  Rb  Rb3  1  0.847  0.112  0.355  1.0
  Be  Be4  1  0.742  0.612  0.845  1.0
  Be  Be5  1  0.258  0.388  0.155  1.0
  Be  Be6  1  0.258  0.888  0.345  1.0
  Be  Be7  1  0.742  0.112  0.655  1.0
  Ni  Ni8  1  0.500  0.000  0.000  1.0
  Ni  Ni9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.337  0.859  0.896  1.0
  O  O11  1  0.663  0.141  0.104  1.0
  O  O12  1  0.663  0.641  0.396  1.0
  O  O13  1  0.337  0.359  0.604  1.0
  O  O14  1  0.411  0.617  0.616  1.0
  O  O15  1  0.589  0.383  0.384  1.0
  O  O16  1  0.589  0.883  0.116  1.0
  O  O17  1  0.411  0.117  0.884  1.0
  O  O18  1  0.781  0.999  0.931  1.0
  O  O19  1  0.219  0.001  0.069  1.0
  O  O20  1  0.219  0.501  0.431  1.0
  O  O21  1  0.781  0.499  0.569  1.0
  F  F22  1  0.514  0.648  0.800  1.0
  F  F23  1  0.486  0.352  0.200  1.0
  F  F24  1  0.486  0.852  0.300  1.0
  F  F25  1  0.514  0.148  0.700  1.0
  F  F26  1  0.717  0.966  0.577  1.0
  F  F27  1  0.283  0.034  0.423  1.0
  F  F28  1  0.283  0.534  0.077  1.0
  F  F29  1  0.717  0.466  0.923  1.0
  F  F30  1  0.871  0.767  0.920  1.0
  F  F31  1  0.129  0.233  0.080  1.0
  F  F32  1  0.129  0.733  0.420  1.0
  F  F33  1  0.871  0.267  0.580  1.0
  F  F34  1  0.898  0.595  0.740  1.0
  F  F35  1  0.102  0.405  0.260  1.0
  F  F36  1  0.102  0.905  0.240  1.0
  F  F37  1  0.898  0.095  0.760  1.0
[/CIF]
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The material described by Rb2Be2Ni(O3F4)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one F(1), one F(3), two equivalent F(2), 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 Rb(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(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 distorted single-bond geometry to two equivalent Rb(1) and one Be(1) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Rb(1) and one Be(1) atom. In the third F site, F(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one Be(1) atom. In the fourth F site, F(3) is bonded in a single-bond geometry to one Rb(1) and one Be(1) atom. is represented by the CIF card [CIF]
data_Rb2Be2Ni(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   8.440
_cell_length_c   11.664
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.807
_symmetry_Int_Tables_number   1
_cell_volume   575.075
_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
  Rb  Rb0  1  0.847  0.612  0.145  1.0
  Rb  Rb1  1  0.153  0.388  0.855  1.0
  Rb  Rb2  1  0.153  0.888  0.645  1.0
  Rb  Rb3  1  0.847  0.112  0.355  1.0
  Be  Be4  1  0.742  0.612  0.845  1.0
  Be  Be5  1  0.258  0.388  0.155  1.0
  Be  Be6  1  0.258  0.888  0.345  1.0
  Be  Be7  1  0.742  0.112  0.655  1.0
  Ni  Ni8  1  0.500  0.000  0.000  1.0
  Ni  Ni9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.337  0.859  0.896  1.0
  O  O11  1  0.663  0.141  0.104  1.0
  O  O12  1  0.663  0.641  0.396  1.0
  O  O13  1  0.337  0.359  0.604  1.0
  O  O14  1  0.411  0.617  0.616  1.0
  O  O15  1  0.589  0.383  0.384  1.0
  O  O16  1  0.589  0.883  0.116  1.0
  O  O17  1  0.411  0.117  0.884  1.0
  O  O18  1  0.781  0.999  0.931  1.0
  O  O19  1  0.219  0.001  0.069  1.0
  O  O20  1  0.219  0.501  0.431  1.0
  O  O21  1  0.781  0.499  0.569  1.0
  F  F22  1  0.514  0.648  0.800  1.0
  F  F23  1  0.486  0.352  0.200  1.0
  F  F24  1  0.486  0.852  0.300  1.0
  F  F25  1  0.514  0.148  0.700  1.0
  F  F26  1  0.717  0.966  0.577  1.0
  F  F27  1  0.283  0.034  0.423  1.0
  F  F28  1  0.283  0.534  0.077  1.0
  F  F29  1  0.717  0.466  0.923  1.0
  F  F30  1  0.871  0.767  0.920  1.0
  F  F31  1  0.129  0.233  0.080  1.0
  F  F32  1  0.129  0.733  0.420  1.0
  F  F33  1  0.871  0.267  0.580  1.0
  F  F34  1  0.898  0.595  0.740  1.0
  F  F35  1  0.102  0.405  0.260  1.0
  F  F36  1  0.102  0.905  0.240  1.0
  F  F37  1  0.898  0.095  0.760  1.0
[/CIF]
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