The material structure described by (BePO4)2N2 is Low Tridymite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure consists of four ammonia atoms inside a BePO4 framework. In the BePO4 framework, Be(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Be(1) and one P(1) atom. is represented by the CIF card [CIF]
data_BePNO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   8.634
_cell_length_c   8.769
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   382.210
_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  0.118  0.596  0.823  1.0
  Be  Be1  1  0.618  0.404  0.177  1.0
  Be  Be2  1  0.618  0.096  0.677  1.0
  Be  Be3  1  0.118  0.904  0.323  1.0
  P  P4  1  0.118  0.584  0.180  1.0
  P  P5  1  0.618  0.416  0.820  1.0
  P  P6  1  0.618  0.084  0.320  1.0
  P  P7  1  0.118  0.916  0.680  1.0
  N  N8  1  0.630  0.684  0.497  1.0
  N  N9  1  0.130  0.316  0.503  1.0
  N  N10  1  0.130  0.184  0.003  1.0
  N  N11  1  0.630  0.816  0.997  1.0
  O  O12  1  0.836  0.533  0.224  1.0
  O  O13  1  0.336  0.467  0.776  1.0
  O  O14  1  0.336  0.033  0.276  1.0
  O  O15  1  0.836  0.967  0.724  1.0
  O  O16  1  0.320  0.457  0.221  1.0
  O  O17  1  0.820  0.543  0.779  1.0
  O  O18  1  0.820  0.957  0.279  1.0
  O  O19  1  0.320  0.043  0.721  1.0
  O  O20  1  0.191  0.735  0.258  1.0
  O  O21  1  0.691  0.265  0.742  1.0
  O  O22  1  0.691  0.235  0.242  1.0
  O  O23  1  0.191  0.765  0.758  1.0
  O  O24  1  0.130  0.612  0.007  1.0
  O  O25  1  0.630  0.388  0.993  1.0
  O  O26  1  0.630  0.112  0.493  1.0
  O  O27  1  0.130  0.888  0.507  1.0
[/CIF]
.
The material structure described by (BePO4)2N2 is Low Tridymite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure consists of four ammonia atoms inside a BePO4 framework. In the BePO4 framework, Be(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Be(1) and one P(1) atom. is represented by the CIF card [CIF]
data_BePNO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   8.634
_cell_length_c   8.769
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   382.210
_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  0.118  0.596  0.823  1.0
  Be  Be1  1  0.618  0.404  0.177  1.0
  Be  Be2  1  0.618  0.096  0.677  1.0
  Be  Be3  1  0.118  0.904  0.323  1.0
  P  P4  1  0.118  0.584  0.180  1.0
  P  P5  1  0.618  0.416  0.820  1.0
  P  P6  1  0.618  0.084  0.320  1.0
  P  P7  1  0.118  0.916  0.680  1.0
  N  N8  1  0.630  0.684  0.497  1.0
  N  N9  1  0.130  0.316  0.503  1.0
  N  N10  1  0.130  0.184  0.003  1.0
  N  N11  1  0.630  0.816  0.997  1.0
  O  O12  1  0.836  0.533  0.224  1.0
  O  O13  1  0.336  0.467  0.776  1.0
  O  O14  1  0.336  0.033  0.276  1.0
  O  O15  1  0.836  0.967  0.724  1.0
  O  O16  1  0.320  0.457  0.221  1.0
  O  O17  1  0.820  0.543  0.779  1.0
  O  O18  1  0.820  0.957  0.279  1.0
  O  O19  1  0.320  0.043  0.721  1.0
  O  O20  1  0.191  0.735  0.258  1.0
  O  O21  1  0.691  0.265  0.742  1.0
  O  O22  1  0.691  0.235  0.242  1.0
  O  O23  1  0.191  0.765  0.758  1.0
  O  O24  1  0.130  0.612  0.007  1.0
  O  O25  1  0.630  0.388  0.993  1.0
  O  O26  1  0.630  0.112  0.493  1.0
  O  O27  1  0.130  0.888  0.507  1.0
[/CIF]
.