The crystal structure described by Be2ZnTl2(O3F4)2 crystallizes in the monoclinic P2_1/c space group. Be(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form BeF4 tetrahedra that share  a cornercorner with one Zn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 40°. Zn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(3) atoms to form ZnO4F2 octahedra that share corners with two equivalent Be(1)F4 tetrahedra. Tl(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(1), one F(2), and one F(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Tl(1) and one O(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Tl(1), and one O(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one O(3) 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) and one Tl(1) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one Tl(1) atom. In the third F site, F(2) is bonded in a water-like geometry to one Be(1) and one Tl(1) atom. In the fourth F site, F(3) is bonded in a bent 150 degrees geometry to one Be(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be2Tl2Zn(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.823
_cell_length_b   5.309
_cell_length_c   7.503
_cell_angle_alpha   78.214
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   538.979
_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  0.114  0.300  0.401  1.0
  Be  Be1  1  0.886  0.700  0.599  1.0
  Be  Be2  1  0.614  0.700  0.099  1.0
  Be  Be3  1  0.386  0.300  0.901  1.0
  Tl  Tl4  1  0.814  0.194  0.352  1.0
  Tl  Tl5  1  0.186  0.806  0.648  1.0
  Tl  Tl6  1  0.314  0.806  0.148  1.0
  Tl  Tl7  1  0.686  0.194  0.852  1.0
  Zn  Zn8  1  0.000  0.500  0.000  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.161  0.765  0.069  1.0
  O  O11  1  0.839  0.235  0.931  1.0
  O  O12  1  0.661  0.235  0.431  1.0
  O  O13  1  0.339  0.765  0.569  1.0
  O  O14  1  0.357  0.613  0.445  1.0
  O  O15  1  0.643  0.387  0.555  1.0
  O  O16  1  0.857  0.387  0.055  1.0
  O  O17  1  0.143  0.613  0.945  1.0
  O  O18  1  0.034  0.081  0.988  1.0
  O  O19  1  0.966  0.919  0.012  1.0
  O  O20  1  0.534  0.919  0.512  1.0
  O  O21  1  0.466  0.081  0.488  1.0
  F  F22  1  0.151  0.562  0.437  1.0
  F  F23  1  0.849  0.438  0.563  1.0
  F  F24  1  0.651  0.438  0.063  1.0
  F  F25  1  0.349  0.562  0.937  1.0
  F  F26  1  0.420  0.134  0.093  1.0
  F  F27  1  0.580  0.866  0.907  1.0
  F  F28  1  0.920  0.866  0.407  1.0
  F  F29  1  0.080  0.134  0.593  1.0
  F  F30  1  0.026  0.358  0.265  1.0
  F  F31  1  0.974  0.642  0.735  1.0
  F  F32  1  0.526  0.642  0.235  1.0
  F  F33  1  0.474  0.358  0.765  1.0
  F  F34  1  0.197  0.134  0.341  1.0
  F  F35  1  0.803  0.866  0.659  1.0
  F  F36  1  0.697  0.866  0.159  1.0
  F  F37  1  0.303  0.134  0.841  1.0
[/CIF]
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The crystal structure described by Be2ZnTl2(O3F4)2 crystallizes in the monoclinic P2_1/c space group. Be(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form BeF4 tetrahedra that share  a cornercorner with one Zn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 40°. Zn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(3) atoms to form ZnO4F2 octahedra that share corners with two equivalent Be(1)F4 tetrahedra. Tl(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(1), one F(2), and one F(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Tl(1) and one O(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Tl(1), and one O(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one O(3) 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) and one Tl(1) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one Tl(1) atom. In the third F site, F(2) is bonded in a water-like geometry to one Be(1) and one Tl(1) atom. In the fourth F site, F(3) is bonded in a bent 150 degrees geometry to one Be(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be2Tl2Zn(O3F4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.823
_cell_length_b   5.309
_cell_length_c   7.503
_cell_angle_alpha   78.214
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   538.979
_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  0.114  0.300  0.401  1.0
  Be  Be1  1  0.886  0.700  0.599  1.0
  Be  Be2  1  0.614  0.700  0.099  1.0
  Be  Be3  1  0.386  0.300  0.901  1.0
  Tl  Tl4  1  0.814  0.194  0.352  1.0
  Tl  Tl5  1  0.186  0.806  0.648  1.0
  Tl  Tl6  1  0.314  0.806  0.148  1.0
  Tl  Tl7  1  0.686  0.194  0.852  1.0
  Zn  Zn8  1  0.000  0.500  0.000  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.161  0.765  0.069  1.0
  O  O11  1  0.839  0.235  0.931  1.0
  O  O12  1  0.661  0.235  0.431  1.0
  O  O13  1  0.339  0.765  0.569  1.0
  O  O14  1  0.357  0.613  0.445  1.0
  O  O15  1  0.643  0.387  0.555  1.0
  O  O16  1  0.857  0.387  0.055  1.0
  O  O17  1  0.143  0.613  0.945  1.0
  O  O18  1  0.034  0.081  0.988  1.0
  O  O19  1  0.966  0.919  0.012  1.0
  O  O20  1  0.534  0.919  0.512  1.0
  O  O21  1  0.466  0.081  0.488  1.0
  F  F22  1  0.151  0.562  0.437  1.0
  F  F23  1  0.849  0.438  0.563  1.0
  F  F24  1  0.651  0.438  0.063  1.0
  F  F25  1  0.349  0.562  0.937  1.0
  F  F26  1  0.420  0.134  0.093  1.0
  F  F27  1  0.580  0.866  0.907  1.0
  F  F28  1  0.920  0.866  0.407  1.0
  F  F29  1  0.080  0.134  0.593  1.0
  F  F30  1  0.026  0.358  0.265  1.0
  F  F31  1  0.974  0.642  0.735  1.0
  F  F32  1  0.526  0.642  0.235  1.0
  F  F33  1  0.474  0.358  0.765  1.0
  F  F34  1  0.197  0.134  0.341  1.0
  F  F35  1  0.803  0.866  0.659  1.0
  F  F36  1  0.697  0.866  0.159  1.0
  F  F37  1  0.303  0.134  0.841  1.0
[/CIF]
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