The material described by Be3SiO6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form BeO4 tetrahedra that share corners with two equivalent Be(2)O4 tetrahedra, corners with two equivalent Be(3)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the second Be site, Be(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form BeO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Be(2)O4 tetrahedra. In the third Be site, Be(3) is bonded to one O(1), one O(6), and two equivalent O(2) atoms to form BeO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with two equivalent Be(3)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with three equivalent Be(2)O4 tetrahedra, and corners with three equivalent Be(3)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Be(1) and one Be(3) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Be(1), one Be(3), and one Si(1) atom. In the fourth O site, O(2) is bonded in a trigonal planar geometry to two equivalent Be(3) and one Si(1) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one Si(1) atom. In the sixth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Be(2) and one Si(1) atom. is represented by the CIF card [CIF]
data_Be3SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.695
_cell_length_b   5.267
_cell_length_c   17.374
_cell_angle_alpha   73.375
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   411.626
_cell_formula_units_Z   4
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  0.098  0.048  0.617  1.0
  Be  Be1  1  0.598  0.952  0.883  1.0
  Be  Be2  1  0.902  0.952  0.383  1.0
  Be  Be3  1  0.402  0.048  0.117  1.0
  Be  Be4  1  0.409  0.692  0.460  1.0
  Be  Be5  1  0.909  0.308  0.040  1.0
  Be  Be6  1  0.591  0.308  0.540  1.0
  Be  Be7  1  0.091  0.692  0.960  1.0
  Be  Be8  1  0.583  0.502  0.796  1.0
  Be  Be9  1  0.083  0.498  0.704  1.0
  Be  Be10  1  0.417  0.498  0.204  1.0
  Be  Be11  1  0.917  0.502  0.296  1.0
  Si  Si12  1  0.084  0.262  0.877  1.0
  Si  Si13  1  0.584  0.738  0.623  1.0
  Si  Si14  1  0.916  0.738  0.123  1.0
  Si  Si15  1  0.416  0.262  0.377  1.0
  O  O16  1  0.925  0.759  0.643  1.0
  O  O17  1  0.425  0.241  0.857  1.0
  O  O18  1  0.075  0.241  0.357  1.0
  O  O19  1  0.575  0.759  0.143  1.0
  O  O20  1  0.926  0.434  0.792  1.0
  O  O21  1  0.426  0.566  0.708  1.0
  O  O22  1  0.074  0.566  0.208  1.0
  O  O23  1  0.574  0.434  0.292  1.0
  O  O24  1  0.434  0.034  0.595  1.0
  O  O25  1  0.934  0.966  0.905  1.0
  O  O26  1  0.566  0.966  0.405  1.0
  O  O27  1  0.066  0.034  0.095  1.0
  O  O28  1  0.514  0.592  0.555  1.0
  O  O29  1  0.014  0.408  0.945  1.0
  O  O30  1  0.486  0.408  0.445  1.0
  O  O31  1  0.986  0.592  0.055  1.0
  O  O32  1  0.923  0.249  0.549  1.0
  O  O33  1  0.423  0.751  0.951  1.0
  O  O34  1  0.077  0.751  0.451  1.0
  O  O35  1  0.577  0.249  0.049  1.0
  O  O36  1  0.056  0.233  0.675  1.0
  O  O37  1  0.556  0.767  0.825  1.0
  O  O38  1  0.944  0.767  0.325  1.0
  O  O39  1  0.444  0.233  0.175  1.0
[/CIF]
.
The material described by Be3SiO6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form BeO4 tetrahedra that share corners with two equivalent Be(2)O4 tetrahedra, corners with two equivalent Be(3)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the second Be site, Be(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form BeO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Be(2)O4 tetrahedra. In the third Be site, Be(3) is bonded to one O(1), one O(6), and two equivalent O(2) atoms to form BeO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with two equivalent Be(3)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with three equivalent Be(2)O4 tetrahedra, and corners with three equivalent Be(3)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Be(1) and one Be(3) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Be(1), one Be(3), and one Si(1) atom. In the fourth O site, O(2) is bonded in a trigonal planar geometry to two equivalent Be(3) and one Si(1) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one Si(1) atom. In the sixth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Be(2) and one Si(1) atom. is represented by the CIF card [CIF]
data_Be3SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.695
_cell_length_b   5.267
_cell_length_c   17.374
_cell_angle_alpha   73.375
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   411.626
_cell_formula_units_Z   4
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  0.098  0.048  0.617  1.0
  Be  Be1  1  0.598  0.952  0.883  1.0
  Be  Be2  1  0.902  0.952  0.383  1.0
  Be  Be3  1  0.402  0.048  0.117  1.0
  Be  Be4  1  0.409  0.692  0.460  1.0
  Be  Be5  1  0.909  0.308  0.040  1.0
  Be  Be6  1  0.591  0.308  0.540  1.0
  Be  Be7  1  0.091  0.692  0.960  1.0
  Be  Be8  1  0.583  0.502  0.796  1.0
  Be  Be9  1  0.083  0.498  0.704  1.0
  Be  Be10  1  0.417  0.498  0.204  1.0
  Be  Be11  1  0.917  0.502  0.296  1.0
  Si  Si12  1  0.084  0.262  0.877  1.0
  Si  Si13  1  0.584  0.738  0.623  1.0
  Si  Si14  1  0.916  0.738  0.123  1.0
  Si  Si15  1  0.416  0.262  0.377  1.0
  O  O16  1  0.925  0.759  0.643  1.0
  O  O17  1  0.425  0.241  0.857  1.0
  O  O18  1  0.075  0.241  0.357  1.0
  O  O19  1  0.575  0.759  0.143  1.0
  O  O20  1  0.926  0.434  0.792  1.0
  O  O21  1  0.426  0.566  0.708  1.0
  O  O22  1  0.074  0.566  0.208  1.0
  O  O23  1  0.574  0.434  0.292  1.0
  O  O24  1  0.434  0.034  0.595  1.0
  O  O25  1  0.934  0.966  0.905  1.0
  O  O26  1  0.566  0.966  0.405  1.0
  O  O27  1  0.066  0.034  0.095  1.0
  O  O28  1  0.514  0.592  0.555  1.0
  O  O29  1  0.014  0.408  0.945  1.0
  O  O30  1  0.486  0.408  0.445  1.0
  O  O31  1  0.986  0.592  0.055  1.0
  O  O32  1  0.923  0.249  0.549  1.0
  O  O33  1  0.423  0.751  0.951  1.0
  O  O34  1  0.077  0.751  0.451  1.0
  O  O35  1  0.577  0.249  0.049  1.0
  O  O36  1  0.056  0.233  0.675  1.0
  O  O37  1  0.556  0.767  0.825  1.0
  O  O38  1  0.944  0.767  0.325  1.0
  O  O39  1  0.444  0.233  0.175  1.0
[/CIF]
.