The compound described by CsBePO4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Be(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form BeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Cs(1), one Be(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Be(1), and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Cs(1), one Be(1), and one P(1) atom. is represented by the CIF file [CIF]
data_CsBePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   8.850
_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   411.256
_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
  Cs  Cs0  1  0.250  0.508  0.694  1.0
  Cs  Cs1  1  0.750  0.492  0.306  1.0
  Cs  Cs2  1  0.250  0.008  0.806  1.0
  Cs  Cs3  1  0.750  0.992  0.194  1.0
  Be  Be4  1  0.750  0.173  0.590  1.0
  Be  Be5  1  0.250  0.827  0.410  1.0
  Be  Be6  1  0.750  0.673  0.910  1.0
  Be  Be7  1  0.250  0.327  0.090  1.0
  P  P8  1  0.750  0.318  0.916  1.0
  P  P9  1  0.250  0.682  0.084  1.0
  P  P10  1  0.750  0.818  0.584  1.0
  P  P11  1  0.250  0.182  0.416  1.0
  O  O12  1  0.750  0.490  0.897  1.0
  O  O13  1  0.250  0.510  0.103  1.0
  O  O14  1  0.750  0.990  0.603  1.0
  O  O15  1  0.250  0.010  0.397  1.0
  O  O16  1  0.992  0.765  0.497  1.0
  O  O17  1  0.492  0.235  0.503  1.0
  O  O18  1  0.508  0.265  0.003  1.0
  O  O19  1  0.008  0.735  0.997  1.0
  O  O20  1  0.008  0.235  0.503  1.0
  O  O21  1  0.508  0.765  0.497  1.0
  O  O22  1  0.492  0.735  0.997  1.0
  O  O23  1  0.992  0.265  0.003  1.0
  O  O24  1  0.250  0.259  0.262  1.0
  O  O25  1  0.750  0.741  0.738  1.0
  O  O26  1  0.250  0.759  0.238  1.0
  O  O27  1  0.750  0.241  0.762  1.0
[/CIF]
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The compound described by CsBePO4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Be(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form BeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Cs(1), one Be(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Be(1), and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Cs(1), one Be(1), and one P(1) atom. is represented by the CIF file [CIF]
data_CsBePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   8.850
_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   411.256
_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
  Cs  Cs0  1  0.250  0.508  0.694  1.0
  Cs  Cs1  1  0.750  0.492  0.306  1.0
  Cs  Cs2  1  0.250  0.008  0.806  1.0
  Cs  Cs3  1  0.750  0.992  0.194  1.0
  Be  Be4  1  0.750  0.173  0.590  1.0
  Be  Be5  1  0.250  0.827  0.410  1.0
  Be  Be6  1  0.750  0.673  0.910  1.0
  Be  Be7  1  0.250  0.327  0.090  1.0
  P  P8  1  0.750  0.318  0.916  1.0
  P  P9  1  0.250  0.682  0.084  1.0
  P  P10  1  0.750  0.818  0.584  1.0
  P  P11  1  0.250  0.182  0.416  1.0
  O  O12  1  0.750  0.490  0.897  1.0
  O  O13  1  0.250  0.510  0.103  1.0
  O  O14  1  0.750  0.990  0.603  1.0
  O  O15  1  0.250  0.010  0.397  1.0
  O  O16  1  0.992  0.765  0.497  1.0
  O  O17  1  0.492  0.235  0.503  1.0
  O  O18  1  0.508  0.265  0.003  1.0
  O  O19  1  0.008  0.735  0.997  1.0
  O  O20  1  0.008  0.235  0.503  1.0
  O  O21  1  0.508  0.765  0.497  1.0
  O  O22  1  0.492  0.735  0.997  1.0
  O  O23  1  0.992  0.265  0.003  1.0
  O  O24  1  0.250  0.259  0.262  1.0
  O  O25  1  0.750  0.741  0.738  1.0
  O  O26  1  0.250  0.759  0.238  1.0
  O  O27  1  0.750  0.241  0.762  1.0
[/CIF]
.