The structure described by NaBe4SbO7 crystallizes in the hexagonal P6_3mc space group. Na(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form NaO12 cuboctahedra that share corners with twelve equivalent Na(1)O12 cuboctahedra, edges with three equivalent Be(2)O4 tetrahedra, edges with nine equivalent Be(1)O4 tetrahedra, and faces with four equivalent Sb(1)O6 octahedra. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form BeO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with two equivalent Be(2)O4 tetrahedra, corners with four equivalent Be(1)O4 tetrahedra, and edges with three equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 57°. In the second Be site, Be(2) is bonded to one O(2) and three equivalent O(1) atoms to form BeO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with six equivalent Be(1)O4 tetrahedra, and edges with three equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 57°. Sb(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent Be(2)O4 tetrahedra, corners with nine equivalent Be(1)O4 tetrahedra, and faces with four equivalent Na(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Be(1), one Be(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Be(2) and three equivalent Be(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1), two equivalent Be(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_NaBe4SbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   5.488
_cell_length_c   8.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.269
_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
  Na  Na0  1  0.667  0.333  0.125  1.0
  Na  Na1  1  0.333  0.667  0.625  1.0
  Be  Be2  1  0.834  0.166  0.813  1.0
  Be  Be3  1  0.669  0.834  0.313  1.0
  Be  Be4  1  0.166  0.331  0.313  1.0
  Be  Be5  1  0.166  0.834  0.313  1.0
  Be  Be6  1  0.000  0.000  0.061  1.0
  Be  Be7  1  0.000  0.000  0.561  1.0
  Be  Be8  1  0.331  0.166  0.813  1.0
  Be  Be9  1  0.834  0.669  0.813  1.0
  Sb  Sb10  1  0.667  0.333  0.500  1.0
  Sb  Sb11  1  0.333  0.667  0.000  1.0
  O  O12  1  0.839  0.679  0.629  1.0
  O  O13  1  0.000  0.000  0.375  1.0
  O  O14  1  0.000  0.000  0.875  1.0
  O  O15  1  0.161  0.321  0.129  1.0
  O  O16  1  0.679  0.839  0.129  1.0
  O  O17  1  0.839  0.161  0.629  1.0
  O  O18  1  0.495  0.505  0.371  1.0
  O  O19  1  0.990  0.495  0.871  1.0
  O  O20  1  0.505  0.010  0.871  1.0
  O  O21  1  0.495  0.990  0.371  1.0
  O  O22  1  0.010  0.505  0.371  1.0
  O  O23  1  0.505  0.495  0.871  1.0
  O  O24  1  0.161  0.839  0.129  1.0
  O  O25  1  0.321  0.161  0.629  1.0
[/CIF]
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The structure described by NaBe4SbO7 crystallizes in the hexagonal P6_3mc space group. Na(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form NaO12 cuboctahedra that share corners with twelve equivalent Na(1)O12 cuboctahedra, edges with three equivalent Be(2)O4 tetrahedra, edges with nine equivalent Be(1)O4 tetrahedra, and faces with four equivalent Sb(1)O6 octahedra. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form BeO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with two equivalent Be(2)O4 tetrahedra, corners with four equivalent Be(1)O4 tetrahedra, and edges with three equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 57°. In the second Be site, Be(2) is bonded to one O(2) and three equivalent O(1) atoms to form BeO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with six equivalent Be(1)O4 tetrahedra, and edges with three equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 57°. Sb(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent Be(2)O4 tetrahedra, corners with nine equivalent Be(1)O4 tetrahedra, and faces with four equivalent Na(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Be(1), one Be(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Be(2) and three equivalent Be(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1), two equivalent Be(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_NaBe4SbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   5.488
_cell_length_c   8.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.269
_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
  Na  Na0  1  0.667  0.333  0.125  1.0
  Na  Na1  1  0.333  0.667  0.625  1.0
  Be  Be2  1  0.834  0.166  0.813  1.0
  Be  Be3  1  0.669  0.834  0.313  1.0
  Be  Be4  1  0.166  0.331  0.313  1.0
  Be  Be5  1  0.166  0.834  0.313  1.0
  Be  Be6  1  0.000  0.000  0.061  1.0
  Be  Be7  1  0.000  0.000  0.561  1.0
  Be  Be8  1  0.331  0.166  0.813  1.0
  Be  Be9  1  0.834  0.669  0.813  1.0
  Sb  Sb10  1  0.667  0.333  0.500  1.0
  Sb  Sb11  1  0.333  0.667  0.000  1.0
  O  O12  1  0.839  0.679  0.629  1.0
  O  O13  1  0.000  0.000  0.375  1.0
  O  O14  1  0.000  0.000  0.875  1.0
  O  O15  1  0.161  0.321  0.129  1.0
  O  O16  1  0.679  0.839  0.129  1.0
  O  O17  1  0.839  0.161  0.629  1.0
  O  O18  1  0.495  0.505  0.371  1.0
  O  O19  1  0.990  0.495  0.871  1.0
  O  O20  1  0.505  0.010  0.871  1.0
  O  O21  1  0.495  0.990  0.371  1.0
  O  O22  1  0.010  0.505  0.371  1.0
  O  O23  1  0.505  0.495  0.871  1.0
  O  O24  1  0.161  0.839  0.129  1.0
  O  O25  1  0.321  0.161  0.629  1.0
[/CIF]
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