The material described by Cs2BeO2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. Be(1) is bonded in a distorted trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(1), and two equivalent Be(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Be(1) atom. is represented by the CIF file [CIF]
data_Cs2BeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.138
_cell_length_b   8.849
_cell_length_c   6.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.726
_symmetry_Int_Tables_number   1
_cell_volume   440.744
_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  0.107  0.228  0.051  1.0
  Cs  Cs1  1  0.181  0.879  0.398  1.0
  Cs  Cs2  1  0.319  0.621  0.898  1.0
  Cs  Cs3  1  0.393  0.272  0.551  1.0
  Cs  Cs4  1  0.607  0.728  0.449  1.0
  Cs  Cs5  1  0.681  0.379  0.102  1.0
  Cs  Cs6  1  0.819  0.121  0.602  1.0
  Cs  Cs7  1  0.893  0.772  0.949  1.0
  Be  Be8  1  0.115  0.521  0.436  1.0
  Be  Be9  1  0.385  0.979  0.936  1.0
  Be  Be10  1  0.615  0.021  0.064  1.0
  Be  Be11  1  0.885  0.479  0.564  1.0
  O  O12  1  0.050  0.392  0.602  1.0
  O  O13  1  0.212  0.942  0.859  1.0
  O  O14  1  0.288  0.558  0.359  1.0
  O  O15  1  0.450  0.108  0.102  1.0
  O  O16  1  0.550  0.892  0.898  1.0
  O  O17  1  0.712  0.442  0.641  1.0
  O  O18  1  0.788  0.058  0.141  1.0
  O  O19  1  0.950  0.608  0.398  1.0
[/CIF]
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The material described by Cs2BeO2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. Be(1) is bonded in a distorted trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(1), and two equivalent Be(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Be(1) atom. is represented by the CIF file [CIF]
data_Cs2BeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.138
_cell_length_b   8.849
_cell_length_c   6.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.726
_symmetry_Int_Tables_number   1
_cell_volume   440.744
_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  0.107  0.228  0.051  1.0
  Cs  Cs1  1  0.181  0.879  0.398  1.0
  Cs  Cs2  1  0.319  0.621  0.898  1.0
  Cs  Cs3  1  0.393  0.272  0.551  1.0
  Cs  Cs4  1  0.607  0.728  0.449  1.0
  Cs  Cs5  1  0.681  0.379  0.102  1.0
  Cs  Cs6  1  0.819  0.121  0.602  1.0
  Cs  Cs7  1  0.893  0.772  0.949  1.0
  Be  Be8  1  0.115  0.521  0.436  1.0
  Be  Be9  1  0.385  0.979  0.936  1.0
  Be  Be10  1  0.615  0.021  0.064  1.0
  Be  Be11  1  0.885  0.479  0.564  1.0
  O  O12  1  0.050  0.392  0.602  1.0
  O  O13  1  0.212  0.942  0.859  1.0
  O  O14  1  0.288  0.558  0.359  1.0
  O  O15  1  0.450  0.108  0.102  1.0
  O  O16  1  0.550  0.892  0.898  1.0
  O  O17  1  0.712  0.442  0.641  1.0
  O  O18  1  0.788  0.058  0.141  1.0
  O  O19  1  0.950  0.608  0.398  1.0
[/CIF]
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