The crystal structure described by BePH3O5 crystallizes in the orthorhombic Pna2_1 space group. Be(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form BeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a linear 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 distorted trigonal non-coplanar geometry to one Be(1), one P(1), and one H(3) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Be(1) and one P(1) atom. is represented by the CIF file [CIF]
data_BePH3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   8.705
_cell_length_c   8.948
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   402.612
_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  0.515  0.167  0.899  1.0
  Be  Be1  1  0.015  0.333  0.399  1.0
  Be  Be2  1  0.515  0.667  0.601  1.0
  Be  Be3  1  0.015  0.833  0.101  1.0
  P  P4  1  0.981  0.187  0.083  1.0
  P  P5  1  0.481  0.313  0.583  1.0
  P  P6  1  0.981  0.687  0.417  1.0
  P  P7  1  0.481  0.813  0.917  1.0
  H  H8  1  0.235  0.015  0.723  1.0
  H  H9  1  0.011  0.058  0.615  1.0
  H  H10  1  0.672  0.158  0.421  1.0
  H  H11  1  0.172  0.342  0.921  1.0
  H  H12  1  0.511  0.442  0.115  1.0
  H  H13  1  0.735  0.485  0.223  1.0
  H  H14  1  0.235  0.515  0.777  1.0
  H  H15  1  0.011  0.558  0.885  1.0
  H  H16  1  0.672  0.658  0.079  1.0
  H  H17  1  0.172  0.842  0.579  1.0
  H  H18  1  0.511  0.942  0.385  1.0
  H  H19  1  0.735  0.985  0.277  1.0
  O  O20  1  0.087  0.971  0.669  1.0
  O  O21  1  0.002  0.015  0.103  1.0
  O  O22  1  0.746  0.238  0.993  1.0
  O  O23  1  0.229  0.245  0.985  1.0
  O  O24  1  0.490  0.228  0.732  1.0
  O  O25  1  0.990  0.272  0.232  1.0
  O  O26  1  0.729  0.255  0.485  1.0
  O  O27  1  0.246  0.262  0.493  1.0
  O  O28  1  0.502  0.485  0.603  1.0
  O  O29  1  0.587  0.529  0.169  1.0
  O  O30  1  0.087  0.471  0.831  1.0
  O  O31  1  0.002  0.515  0.397  1.0
  O  O32  1  0.746  0.738  0.507  1.0
  O  O33  1  0.229  0.745  0.515  1.0
  O  O34  1  0.490  0.728  0.768  1.0
  O  O35  1  0.990  0.772  0.268  1.0
  O  O36  1  0.729  0.755  0.015  1.0
  O  O37  1  0.246  0.762  0.007  1.0
  O  O38  1  0.502  0.985  0.897  1.0
  O  O39  1  0.587  0.029  0.331  1.0
[/CIF]
.
The crystal structure described by BePH3O5 crystallizes in the orthorhombic Pna2_1 space group. Be(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form BeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a linear 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 distorted trigonal non-coplanar geometry to one Be(1), one P(1), and one H(3) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Be(1) and one P(1) atom. is represented by the CIF file [CIF]
data_BePH3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   8.705
_cell_length_c   8.948
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   402.612
_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  0.515  0.167  0.899  1.0
  Be  Be1  1  0.015  0.333  0.399  1.0
  Be  Be2  1  0.515  0.667  0.601  1.0
  Be  Be3  1  0.015  0.833  0.101  1.0
  P  P4  1  0.981  0.187  0.083  1.0
  P  P5  1  0.481  0.313  0.583  1.0
  P  P6  1  0.981  0.687  0.417  1.0
  P  P7  1  0.481  0.813  0.917  1.0
  H  H8  1  0.235  0.015  0.723  1.0
  H  H9  1  0.011  0.058  0.615  1.0
  H  H10  1  0.672  0.158  0.421  1.0
  H  H11  1  0.172  0.342  0.921  1.0
  H  H12  1  0.511  0.442  0.115  1.0
  H  H13  1  0.735  0.485  0.223  1.0
  H  H14  1  0.235  0.515  0.777  1.0
  H  H15  1  0.011  0.558  0.885  1.0
  H  H16  1  0.672  0.658  0.079  1.0
  H  H17  1  0.172  0.842  0.579  1.0
  H  H18  1  0.511  0.942  0.385  1.0
  H  H19  1  0.735  0.985  0.277  1.0
  O  O20  1  0.087  0.971  0.669  1.0
  O  O21  1  0.002  0.015  0.103  1.0
  O  O22  1  0.746  0.238  0.993  1.0
  O  O23  1  0.229  0.245  0.985  1.0
  O  O24  1  0.490  0.228  0.732  1.0
  O  O25  1  0.990  0.272  0.232  1.0
  O  O26  1  0.729  0.255  0.485  1.0
  O  O27  1  0.246  0.262  0.493  1.0
  O  O28  1  0.502  0.485  0.603  1.0
  O  O29  1  0.587  0.529  0.169  1.0
  O  O30  1  0.087  0.471  0.831  1.0
  O  O31  1  0.002  0.515  0.397  1.0
  O  O32  1  0.746  0.738  0.507  1.0
  O  O33  1  0.229  0.745  0.515  1.0
  O  O34  1  0.490  0.728  0.768  1.0
  O  O35  1  0.990  0.772  0.268  1.0
  O  O36  1  0.729  0.755  0.015  1.0
  O  O37  1  0.246  0.762  0.007  1.0
  O  O38  1  0.502  0.985  0.897  1.0
  O  O39  1  0.587  0.029  0.331  1.0
[/CIF]
.