The material described by NaBeSi3O8 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 3-coordinate geometry to one O(2), one O(6), and one O(9) atom. Be(1) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form BeO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Be(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(5), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Be(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Be(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the second O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Be(1), and one Si(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Be(1) and one Si(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Be(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a linear geometry to two equivalent Si(1) atoms. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Be(1) and one Si(3) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Na(1), one Si(1), and one Si(3) atom. In the ninth O site, O(7) is bonded in a linear geometry to two equivalent Si(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBeSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.324
_cell_length_b   7.324
_cell_length_c   15.515
_cell_angle_alpha   76.165
_cell_angle_beta   76.165
_cell_angle_gamma   54.920
_symmetry_Int_Tables_number   1
_cell_volume   655.858
_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
  Na  Na0  1  0.946  0.875  0.609  1.0
  Na  Na1  1  0.125  0.054  0.891  1.0
  Na  Na2  1  0.054  0.125  0.391  1.0
  Na  Na3  1  0.875  0.946  0.109  1.0
  Be  Be4  1  0.804  0.647  0.743  1.0
  Be  Be5  1  0.353  0.196  0.757  1.0
  Be  Be6  1  0.196  0.353  0.257  1.0
  Be  Be7  1  0.647  0.804  0.243  1.0
  Si  Si8  1  0.006  0.336  0.592  1.0
  Si  Si9  1  0.664  0.994  0.908  1.0
  Si  Si10  1  0.994  0.664  0.408  1.0
  Si  Si11  1  0.336  0.006  0.092  1.0
  Si  Si12  1  0.393  0.906  0.657  1.0
  Si  Si13  1  0.094  0.607  0.843  1.0
  Si  Si14  1  0.607  0.094  0.343  1.0
  Si  Si15  1  0.906  0.393  0.157  1.0
  Si  Si16  1  0.529  0.441  0.606  1.0
  Si  Si17  1  0.559  0.471  0.894  1.0
  Si  Si18  1  0.471  0.559  0.394  1.0
  Si  Si19  1  0.441  0.529  0.106  1.0
  O  O20  1  0.965  0.454  0.676  1.0
  O  O21  1  0.546  0.035  0.824  1.0
  O  O22  1  0.035  0.546  0.324  1.0
  O  O23  1  0.454  0.965  0.176  1.0
  O  O24  1  0.653  0.827  0.659  1.0
  O  O25  1  0.173  0.347  0.841  1.0
  O  O26  1  0.347  0.173  0.341  1.0
  O  O27  1  0.827  0.653  0.159  1.0
  O  O28  1  0.000  0.500  0.500  1.0
  O  O29  1  0.500  0.000  0.000  1.0
  O  O30  1  0.427  0.304  0.666  1.0
  O  O31  1  0.696  0.573  0.834  1.0
  O  O32  1  0.573  0.696  0.334  1.0
  O  O33  1  0.304  0.427  0.166  1.0
  O  O34  1  0.245  0.093  0.576  1.0
  O  O35  1  0.907  0.755  0.924  1.0
  O  O36  1  0.755  0.907  0.424  1.0
  O  O37  1  0.093  0.245  0.076  1.0
  O  O38  1  0.810  0.284  0.602  1.0
  O  O39  1  0.716  0.190  0.898  1.0
  O  O40  1  0.190  0.716  0.398  1.0
  O  O41  1  0.284  0.810  0.102  1.0
  O  O42  1  0.500  0.500  0.500  1.0
  O  O43  1  0.500  0.500  0.000  1.0
  O  O44  1  0.406  0.682  0.646  1.0
  O  O45  1  0.318  0.594  0.854  1.0
  O  O46  1  0.594  0.318  0.354  1.0
  O  O47  1  0.682  0.406  0.146  1.0
  O  O48  1  0.961  0.739  0.755  1.0
  O  O49  1  0.261  0.039  0.745  1.0
  O  O50  1  0.039  0.261  0.245  1.0
  O  O51  1  0.739  0.961  0.255  1.0
[/CIF]
.
The material described by NaBeSi3O8 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 3-coordinate geometry to one O(2), one O(6), and one O(9) atom. Be(1) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form BeO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Be(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(5), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Be(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Be(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the second O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Be(1), and one Si(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Be(1) and one Si(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Be(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a linear geometry to two equivalent Si(1) atoms. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Be(1) and one Si(3) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Na(1), one Si(1), and one Si(3) atom. In the ninth O site, O(7) is bonded in a linear geometry to two equivalent Si(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBeSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.324
_cell_length_b   7.324
_cell_length_c   15.515
_cell_angle_alpha   76.165
_cell_angle_beta   76.165
_cell_angle_gamma   54.920
_symmetry_Int_Tables_number   1
_cell_volume   655.858
_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
  Na  Na0  1  0.946  0.875  0.609  1.0
  Na  Na1  1  0.125  0.054  0.891  1.0
  Na  Na2  1  0.054  0.125  0.391  1.0
  Na  Na3  1  0.875  0.946  0.109  1.0
  Be  Be4  1  0.804  0.647  0.743  1.0
  Be  Be5  1  0.353  0.196  0.757  1.0
  Be  Be6  1  0.196  0.353  0.257  1.0
  Be  Be7  1  0.647  0.804  0.243  1.0
  Si  Si8  1  0.006  0.336  0.592  1.0
  Si  Si9  1  0.664  0.994  0.908  1.0
  Si  Si10  1  0.994  0.664  0.408  1.0
  Si  Si11  1  0.336  0.006  0.092  1.0
  Si  Si12  1  0.393  0.906  0.657  1.0
  Si  Si13  1  0.094  0.607  0.843  1.0
  Si  Si14  1  0.607  0.094  0.343  1.0
  Si  Si15  1  0.906  0.393  0.157  1.0
  Si  Si16  1  0.529  0.441  0.606  1.0
  Si  Si17  1  0.559  0.471  0.894  1.0
  Si  Si18  1  0.471  0.559  0.394  1.0
  Si  Si19  1  0.441  0.529  0.106  1.0
  O  O20  1  0.965  0.454  0.676  1.0
  O  O21  1  0.546  0.035  0.824  1.0
  O  O22  1  0.035  0.546  0.324  1.0
  O  O23  1  0.454  0.965  0.176  1.0
  O  O24  1  0.653  0.827  0.659  1.0
  O  O25  1  0.173  0.347  0.841  1.0
  O  O26  1  0.347  0.173  0.341  1.0
  O  O27  1  0.827  0.653  0.159  1.0
  O  O28  1  0.000  0.500  0.500  1.0
  O  O29  1  0.500  0.000  0.000  1.0
  O  O30  1  0.427  0.304  0.666  1.0
  O  O31  1  0.696  0.573  0.834  1.0
  O  O32  1  0.573  0.696  0.334  1.0
  O  O33  1  0.304  0.427  0.166  1.0
  O  O34  1  0.245  0.093  0.576  1.0
  O  O35  1  0.907  0.755  0.924  1.0
  O  O36  1  0.755  0.907  0.424  1.0
  O  O37  1  0.093  0.245  0.076  1.0
  O  O38  1  0.810  0.284  0.602  1.0
  O  O39  1  0.716  0.190  0.898  1.0
  O  O40  1  0.190  0.716  0.398  1.0
  O  O41  1  0.284  0.810  0.102  1.0
  O  O42  1  0.500  0.500  0.500  1.0
  O  O43  1  0.500  0.500  0.000  1.0
  O  O44  1  0.406  0.682  0.646  1.0
  O  O45  1  0.318  0.594  0.854  1.0
  O  O46  1  0.594  0.318  0.354  1.0
  O  O47  1  0.682  0.406  0.146  1.0
  O  O48  1  0.961  0.739  0.755  1.0
  O  O49  1  0.261  0.039  0.745  1.0
  O  O50  1  0.039  0.261  0.245  1.0
  O  O51  1  0.739  0.961  0.255  1.0
[/CIF]
.