The material described by Rb2Be2Cu(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. Cu(1) is bonded in a distorted 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 Cu(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cu(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_Rb2Be2Cu(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.177
_cell_length_b   8.446
_cell_length_c   11.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.856
_symmetry_Int_Tables_number   1
_cell_volume   594.080
_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  0.839  0.607  0.144  1.0
  Rb  Rb1  1  0.161  0.393  0.856  1.0
  Rb  Rb2  1  0.161  0.893  0.644  1.0
  Rb  Rb3  1  0.839  0.107  0.356  1.0
  Be  Be4  1  0.746  0.605  0.843  1.0
  Be  Be5  1  0.254  0.395  0.157  1.0
  Be  Be6  1  0.254  0.895  0.343  1.0
  Be  Be7  1  0.746  0.105  0.657  1.0
  Cu  Cu8  1  0.500  0.000  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.341  0.862  0.896  1.0
  O  O11  1  0.659  0.138  0.104  1.0
  O  O12  1  0.659  0.638  0.396  1.0
  O  O13  1  0.341  0.362  0.604  1.0
  O  O14  1  0.412  0.615  0.616  1.0
  O  O15  1  0.588  0.385  0.384  1.0
  O  O16  1  0.588  0.885  0.116  1.0
  O  O17  1  0.412  0.115  0.884  1.0
  O  O18  1  0.831  0.994  0.928  1.0
  O  O19  1  0.169  0.006  0.072  1.0
  O  O20  1  0.169  0.506  0.428  1.0
  O  O21  1  0.831  0.494  0.572  1.0
  F  F22  1  0.526  0.643  0.800  1.0
  F  F23  1  0.474  0.357  0.200  1.0
  F  F24  1  0.474  0.857  0.300  1.0
  F  F25  1  0.526  0.143  0.700  1.0
  F  F26  1  0.721  0.957  0.579  1.0
  F  F27  1  0.279  0.043  0.421  1.0
  F  F28  1  0.279  0.543  0.079  1.0
  F  F29  1  0.721  0.457  0.921  1.0
  F  F30  1  0.876  0.758  0.920  1.0
  F  F31  1  0.124  0.242  0.080  1.0
  F  F32  1  0.124  0.742  0.420  1.0
  F  F33  1  0.876  0.258  0.580  1.0
  F  F34  1  0.906  0.592  0.739  1.0
  F  F35  1  0.094  0.408  0.261  1.0
  F  F36  1  0.094  0.908  0.239  1.0
  F  F37  1  0.906  0.092  0.761  1.0
[/CIF]
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The material described by Rb2Be2Cu(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. Cu(1) is bonded in a distorted 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 Cu(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cu(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_Rb2Be2Cu(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.177
_cell_length_b   8.446
_cell_length_c   11.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.856
_symmetry_Int_Tables_number   1
_cell_volume   594.080
_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  0.839  0.607  0.144  1.0
  Rb  Rb1  1  0.161  0.393  0.856  1.0
  Rb  Rb2  1  0.161  0.893  0.644  1.0
  Rb  Rb3  1  0.839  0.107  0.356  1.0
  Be  Be4  1  0.746  0.605  0.843  1.0
  Be  Be5  1  0.254  0.395  0.157  1.0
  Be  Be6  1  0.254  0.895  0.343  1.0
  Be  Be7  1  0.746  0.105  0.657  1.0
  Cu  Cu8  1  0.500  0.000  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.341  0.862  0.896  1.0
  O  O11  1  0.659  0.138  0.104  1.0
  O  O12  1  0.659  0.638  0.396  1.0
  O  O13  1  0.341  0.362  0.604  1.0
  O  O14  1  0.412  0.615  0.616  1.0
  O  O15  1  0.588  0.385  0.384  1.0
  O  O16  1  0.588  0.885  0.116  1.0
  O  O17  1  0.412  0.115  0.884  1.0
  O  O18  1  0.831  0.994  0.928  1.0
  O  O19  1  0.169  0.006  0.072  1.0
  O  O20  1  0.169  0.506  0.428  1.0
  O  O21  1  0.831  0.494  0.572  1.0
  F  F22  1  0.526  0.643  0.800  1.0
  F  F23  1  0.474  0.357  0.200  1.0
  F  F24  1  0.474  0.857  0.300  1.0
  F  F25  1  0.526  0.143  0.700  1.0
  F  F26  1  0.721  0.957  0.579  1.0
  F  F27  1  0.279  0.043  0.421  1.0
  F  F28  1  0.279  0.543  0.079  1.0
  F  F29  1  0.721  0.457  0.921  1.0
  F  F30  1  0.876  0.758  0.920  1.0
  F  F31  1  0.124  0.242  0.080  1.0
  F  F32  1  0.124  0.742  0.420  1.0
  F  F33  1  0.876  0.258  0.580  1.0
  F  F34  1  0.906  0.592  0.739  1.0
  F  F35  1  0.094  0.408  0.261  1.0
  F  F36  1  0.094  0.908  0.239  1.0
  F  F37  1  0.906  0.092  0.761  1.0
[/CIF]
.