The compound described by Be(PO3)2 is quartz (alpha)-derived structured and crystallizes in the monoclinic P2_1/c space group. Be(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form BeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) 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 two equivalent Be(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Be(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Be(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Be(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.853
_cell_length_b   4.851
_cell_length_c   7.250
_cell_angle_alpha   66.976
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.059
_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  0.933  0.637  0.236  1.0
  Be  Be1  1  0.433  0.363  0.264  1.0
  Be  Be2  1  0.067  0.363  0.764  1.0
  Be  Be3  1  0.567  0.637  0.736  1.0
  P  P4  1  0.868  0.020  0.830  1.0
  P  P5  1  0.650  0.034  0.920  1.0
  P  P6  1  0.150  0.966  0.580  1.0
  P  P7  1  0.350  0.966  0.080  1.0
  P  P8  1  0.850  0.034  0.420  1.0
  P  P9  1  0.632  0.020  0.330  1.0
  P  P10  1  0.132  0.980  0.170  1.0
  P  P11  1  0.368  0.980  0.670  1.0
  O  O12  1  0.238  0.824  0.149  1.0
  O  O13  1  0.638  0.770  0.867  1.0
  O  O14  1  0.138  0.230  0.633  1.0
  O  O15  1  0.362  0.230  0.133  1.0
  O  O16  1  0.862  0.770  0.367  1.0
  O  O17  1  0.572  0.276  0.840  1.0
  O  O18  1  0.072  0.724  0.660  1.0
  O  O19  1  0.428  0.724  0.160  1.0
  O  O20  1  0.738  0.176  0.351  1.0
  O  O21  1  0.156  0.088  0.344  1.0
  O  O22  1  0.262  0.824  0.649  1.0
  O  O23  1  0.762  0.176  0.851  1.0
  O  O24  1  0.844  0.912  0.656  1.0
  O  O25  1  0.344  0.088  0.844  1.0
  O  O26  1  0.615  0.745  0.512  1.0
  O  O27  1  0.656  0.912  0.156  1.0
  O  O28  1  0.948  0.259  0.769  1.0
  O  O29  1  0.115  0.255  0.988  1.0
  O  O30  1  0.385  0.255  0.488  1.0
  O  O31  1  0.885  0.745  0.012  1.0
  O  O32  1  0.552  0.259  0.269  1.0
  O  O33  1  0.052  0.741  0.231  1.0
  O  O34  1  0.448  0.741  0.731  1.0
  O  O35  1  0.928  0.276  0.340  1.0
[/CIF]
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The compound described by Be(PO3)2 is quartz (alpha)-derived structured and crystallizes in the monoclinic P2_1/c space group. Be(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form BeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) 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 two equivalent Be(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Be(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Be(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Be(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.853
_cell_length_b   4.851
_cell_length_c   7.250
_cell_angle_alpha   66.976
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.059
_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  0.933  0.637  0.236  1.0
  Be  Be1  1  0.433  0.363  0.264  1.0
  Be  Be2  1  0.067  0.363  0.764  1.0
  Be  Be3  1  0.567  0.637  0.736  1.0
  P  P4  1  0.868  0.020  0.830  1.0
  P  P5  1  0.650  0.034  0.920  1.0
  P  P6  1  0.150  0.966  0.580  1.0
  P  P7  1  0.350  0.966  0.080  1.0
  P  P8  1  0.850  0.034  0.420  1.0
  P  P9  1  0.632  0.020  0.330  1.0
  P  P10  1  0.132  0.980  0.170  1.0
  P  P11  1  0.368  0.980  0.670  1.0
  O  O12  1  0.238  0.824  0.149  1.0
  O  O13  1  0.638  0.770  0.867  1.0
  O  O14  1  0.138  0.230  0.633  1.0
  O  O15  1  0.362  0.230  0.133  1.0
  O  O16  1  0.862  0.770  0.367  1.0
  O  O17  1  0.572  0.276  0.840  1.0
  O  O18  1  0.072  0.724  0.660  1.0
  O  O19  1  0.428  0.724  0.160  1.0
  O  O20  1  0.738  0.176  0.351  1.0
  O  O21  1  0.156  0.088  0.344  1.0
  O  O22  1  0.262  0.824  0.649  1.0
  O  O23  1  0.762  0.176  0.851  1.0
  O  O24  1  0.844  0.912  0.656  1.0
  O  O25  1  0.344  0.088  0.844  1.0
  O  O26  1  0.615  0.745  0.512  1.0
  O  O27  1  0.656  0.912  0.156  1.0
  O  O28  1  0.948  0.259  0.769  1.0
  O  O29  1  0.115  0.255  0.988  1.0
  O  O30  1  0.385  0.255  0.488  1.0
  O  O31  1  0.885  0.745  0.012  1.0
  O  O32  1  0.552  0.259  0.269  1.0
  O  O33  1  0.052  0.741  0.231  1.0
  O  O34  1  0.448  0.741  0.731  1.0
  O  O35  1  0.928  0.276  0.340  1.0
[/CIF]
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