The compound described by CsBeAsO4 crystallizes in the orthorhombic Pna2_1 space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), three equivalent O(2), and three equivalent O(4) atoms. 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 As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 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 distorted bent 150 degrees geometry to two equivalent Cs(1), one Be(1), and one As(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Be(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Be(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Be(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBeAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   8.850
_cell_length_c   9.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.981
_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  0.498  0.318  0.494  1.0
  Cs  Cs1  1  0.998  0.682  0.506  1.0
  Cs  Cs2  1  0.498  0.182  0.994  1.0
  Cs  Cs3  1  0.998  0.818  0.006  1.0
  Be  Be4  1  0.999  0.095  0.330  1.0
  Be  Be5  1  0.499  0.595  0.170  1.0
  Be  Be6  1  0.999  0.405  0.830  1.0
  Be  Be7  1  0.499  0.905  0.670  1.0
  As  As8  1  0.500  0.914  0.326  1.0
  As  As9  1  0.000  0.086  0.674  1.0
  As  As10  1  0.500  0.586  0.826  1.0
  As  As11  1  0.000  0.414  0.174  1.0
  O  O12  1  0.015  0.124  0.500  1.0
  O  O13  1  0.515  0.624  0.000  1.0
  O  O14  1  0.015  0.376  1.000  1.0
  O  O15  1  0.515  0.876  0.500  1.0
  O  O16  1  0.696  0.461  0.224  1.0
  O  O17  1  0.196  0.539  0.776  1.0
  O  O18  1  0.696  0.039  0.724  1.0
  O  O19  1  0.196  0.961  0.276  1.0
  O  O20  1  0.592  0.755  0.241  1.0
  O  O21  1  0.092  0.245  0.759  1.0
  O  O22  1  0.592  0.745  0.741  1.0
  O  O23  1  0.092  0.255  0.259  1.0
  O  O24  1  0.705  0.445  0.778  1.0
  O  O25  1  0.205  0.555  0.222  1.0
  O  O26  1  0.705  0.055  0.278  1.0
  O  O27  1  0.205  0.945  0.722  1.0
[/CIF]
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The compound described by CsBeAsO4 crystallizes in the orthorhombic Pna2_1 space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), three equivalent O(2), and three equivalent O(4) atoms. 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 As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 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 distorted bent 150 degrees geometry to two equivalent Cs(1), one Be(1), and one As(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Be(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Be(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Be(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBeAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   8.850
_cell_length_c   9.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.981
_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  0.498  0.318  0.494  1.0
  Cs  Cs1  1  0.998  0.682  0.506  1.0
  Cs  Cs2  1  0.498  0.182  0.994  1.0
  Cs  Cs3  1  0.998  0.818  0.006  1.0
  Be  Be4  1  0.999  0.095  0.330  1.0
  Be  Be5  1  0.499  0.595  0.170  1.0
  Be  Be6  1  0.999  0.405  0.830  1.0
  Be  Be7  1  0.499  0.905  0.670  1.0
  As  As8  1  0.500  0.914  0.326  1.0
  As  As9  1  0.000  0.086  0.674  1.0
  As  As10  1  0.500  0.586  0.826  1.0
  As  As11  1  0.000  0.414  0.174  1.0
  O  O12  1  0.015  0.124  0.500  1.0
  O  O13  1  0.515  0.624  0.000  1.0
  O  O14  1  0.015  0.376  1.000  1.0
  O  O15  1  0.515  0.876  0.500  1.0
  O  O16  1  0.696  0.461  0.224  1.0
  O  O17  1  0.196  0.539  0.776  1.0
  O  O18  1  0.696  0.039  0.724  1.0
  O  O19  1  0.196  0.961  0.276  1.0
  O  O20  1  0.592  0.755  0.241  1.0
  O  O21  1  0.092  0.245  0.759  1.0
  O  O22  1  0.592  0.745  0.741  1.0
  O  O23  1  0.092  0.255  0.259  1.0
  O  O24  1  0.705  0.445  0.778  1.0
  O  O25  1  0.205  0.555  0.222  1.0
  O  O26  1  0.705  0.055  0.278  1.0
  O  O27  1  0.205  0.945  0.722  1.0
[/CIF]
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