The material structure described by CaBe2(PO4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form BeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Be site, Be(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form BeO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Be(1)O4 tetrahedra and corners with three equivalent Be(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Be(2)O4 tetrahedra and corners with three equivalent Be(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Be(1), and one P(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Be(2), and one P(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Be(1), and one P(2) atom. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Be(2), and one P(1) atom. In the fifth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(1), and one P(2) atom. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(2), and one P(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the eighth O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(2), and one P(1) atom. is represented by the CIF file [CIF]
data_CaBe2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.874
_cell_length_b   7.871
_cell_length_c   8.424
_cell_angle_alpha   89.550
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.413
_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
  Ca  Ca0  1  0.585  0.244  0.113  1.0
  Ca  Ca1  1  0.085  0.756  0.387  1.0
  Ca  Ca2  1  0.415  0.756  0.887  1.0
  Ca  Ca3  1  0.915  0.244  0.613  1.0
  Be  Be4  1  0.805  0.570  0.943  1.0
  Be  Be5  1  0.921  0.069  0.231  1.0
  Be  Be6  1  0.421  0.931  0.269  1.0
  Be  Be7  1  0.079  0.931  0.769  1.0
  Be  Be8  1  0.579  0.069  0.731  1.0
  Be  Be9  1  0.305  0.430  0.557  1.0
  Be  Be10  1  0.195  0.430  0.057  1.0
  Be  Be11  1  0.695  0.570  0.443  1.0
  P  P12  1  0.698  0.939  0.440  1.0
  P  P13  1  0.198  0.061  0.060  1.0
  P  P14  1  0.302  0.061  0.560  1.0
  P  P15  1  0.802  0.939  0.940  1.0
  P  P16  1  0.917  0.439  0.236  1.0
  P  P17  1  0.417  0.561  0.264  1.0
  P  P18  1  0.083  0.561  0.764  1.0
  P  P19  1  0.583  0.439  0.736  1.0
  O  O20  1  0.920  0.258  0.313  1.0
  O  O21  1  0.580  0.258  0.813  1.0
  O  O22  1  0.080  0.742  0.687  1.0
  O  O23  1  0.420  0.742  0.187  1.0
  O  O24  1  0.656  0.760  0.496  1.0
  O  O25  1  0.156  0.240  0.004  1.0
  O  O26  1  0.344  0.240  0.504  1.0
  O  O27  1  0.844  0.760  0.996  1.0
  O  O28  1  0.807  0.067  0.079  1.0
  O  O29  1  0.307  0.933  0.421  1.0
  O  O30  1  0.193  0.933  0.921  1.0
  O  O31  1  0.693  0.067  0.579  1.0
  O  O32  1  0.926  0.495  0.813  1.0
  O  O33  1  0.426  0.505  0.687  1.0
  O  O34  1  0.074  0.505  0.187  1.0
  O  O35  1  0.574  0.495  0.313  1.0
  O  O36  1  0.913  0.004  0.809  1.0
  O  O37  1  0.413  0.996  0.691  1.0
  O  O38  1  0.087  0.996  0.191  1.0
  O  O39  1  0.587  0.004  0.309  1.0
  O  O40  1  0.633  0.562  0.870  1.0
  O  O41  1  0.133  0.438  0.630  1.0
  O  O42  1  0.367  0.438  0.130  1.0
  O  O43  1  0.867  0.562  0.370  1.0
  O  O44  1  0.637  0.944  0.875  1.0
  O  O45  1  0.137  0.056  0.625  1.0
  O  O46  1  0.363  0.056  0.125  1.0
  O  O47  1  0.863  0.944  0.375  1.0
  O  O48  1  0.694  0.437  0.595  1.0
  O  O49  1  0.194  0.563  0.905  1.0
  O  O50  1  0.306  0.563  0.405  1.0
  O  O51  1  0.806  0.437  0.095  1.0
[/CIF]
.
The material structure described by CaBe2(PO4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form BeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Be site, Be(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form BeO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Be(1)O4 tetrahedra and corners with three equivalent Be(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Be(2)O4 tetrahedra and corners with three equivalent Be(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Be(1), and one P(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Be(2), and one P(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Be(1), and one P(2) atom. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Be(2), and one P(1) atom. In the fifth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(1), and one P(2) atom. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(2), and one P(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Be(1) and one P(1) atom. In the eighth O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(2), and one P(1) atom. is represented by the CIF file [CIF]
data_CaBe2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.874
_cell_length_b   7.871
_cell_length_c   8.424
_cell_angle_alpha   89.550
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.413
_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
  Ca  Ca0  1  0.585  0.244  0.113  1.0
  Ca  Ca1  1  0.085  0.756  0.387  1.0
  Ca  Ca2  1  0.415  0.756  0.887  1.0
  Ca  Ca3  1  0.915  0.244  0.613  1.0
  Be  Be4  1  0.805  0.570  0.943  1.0
  Be  Be5  1  0.921  0.069  0.231  1.0
  Be  Be6  1  0.421  0.931  0.269  1.0
  Be  Be7  1  0.079  0.931  0.769  1.0
  Be  Be8  1  0.579  0.069  0.731  1.0
  Be  Be9  1  0.305  0.430  0.557  1.0
  Be  Be10  1  0.195  0.430  0.057  1.0
  Be  Be11  1  0.695  0.570  0.443  1.0
  P  P12  1  0.698  0.939  0.440  1.0
  P  P13  1  0.198  0.061  0.060  1.0
  P  P14  1  0.302  0.061  0.560  1.0
  P  P15  1  0.802  0.939  0.940  1.0
  P  P16  1  0.917  0.439  0.236  1.0
  P  P17  1  0.417  0.561  0.264  1.0
  P  P18  1  0.083  0.561  0.764  1.0
  P  P19  1  0.583  0.439  0.736  1.0
  O  O20  1  0.920  0.258  0.313  1.0
  O  O21  1  0.580  0.258  0.813  1.0
  O  O22  1  0.080  0.742  0.687  1.0
  O  O23  1  0.420  0.742  0.187  1.0
  O  O24  1  0.656  0.760  0.496  1.0
  O  O25  1  0.156  0.240  0.004  1.0
  O  O26  1  0.344  0.240  0.504  1.0
  O  O27  1  0.844  0.760  0.996  1.0
  O  O28  1  0.807  0.067  0.079  1.0
  O  O29  1  0.307  0.933  0.421  1.0
  O  O30  1  0.193  0.933  0.921  1.0
  O  O31  1  0.693  0.067  0.579  1.0
  O  O32  1  0.926  0.495  0.813  1.0
  O  O33  1  0.426  0.505  0.687  1.0
  O  O34  1  0.074  0.505  0.187  1.0
  O  O35  1  0.574  0.495  0.313  1.0
  O  O36  1  0.913  0.004  0.809  1.0
  O  O37  1  0.413  0.996  0.691  1.0
  O  O38  1  0.087  0.996  0.191  1.0
  O  O39  1  0.587  0.004  0.309  1.0
  O  O40  1  0.633  0.562  0.870  1.0
  O  O41  1  0.133  0.438  0.630  1.0
  O  O42  1  0.367  0.438  0.130  1.0
  O  O43  1  0.867  0.562  0.370  1.0
  O  O44  1  0.637  0.944  0.875  1.0
  O  O45  1  0.137  0.056  0.625  1.0
  O  O46  1  0.363  0.056  0.125  1.0
  O  O47  1  0.863  0.944  0.375  1.0
  O  O48  1  0.694  0.437  0.595  1.0
  O  O49  1  0.194  0.563  0.905  1.0
  O  O50  1  0.306  0.563  0.405  1.0
  O  O51  1  0.806  0.437  0.095  1.0
[/CIF]
.