The crystal structure described by Ca2BeLaO5 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Be(1) is bonded in a tetrahedral geometry to one O(1), one O(4), and two equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to four equivalent Ca(1), one Be(1), and one La(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Ca(1), one Be(1), and one La(1) atom. In the third O site, O(2) is bonded to four equivalent Ca(1) and two equivalent La(1) atoms to form distorted corner-sharing OCa4La2 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to three equivalent Ca(1), one Be(1), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_Ca2LaBeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   7.290
_cell_length_c   9.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.656
_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  0.579  0.529  0.827  1.0
  Ca  Ca1  1  0.421  0.471  0.173  1.0
  Ca  Ca2  1  0.079  0.471  0.673  1.0
  Ca  Ca3  1  0.421  0.029  0.173  1.0
  Ca  Ca4  1  0.921  0.529  0.327  1.0
  Ca  Ca5  1  0.579  0.971  0.827  1.0
  Ca  Ca6  1  0.921  0.971  0.327  1.0
  Ca  Ca7  1  0.079  0.029  0.673  1.0
  La  La8  1  0.100  0.750  0.973  1.0
  La  La9  1  0.900  0.250  0.027  1.0
  La  La10  1  0.600  0.250  0.527  1.0
  La  La11  1  0.400  0.750  0.473  1.0
  Be  Be12  1  0.812  0.750  0.607  1.0
  Be  Be13  1  0.188  0.250  0.393  1.0
  Be  Be14  1  0.312  0.250  0.893  1.0
  Be  Be15  1  0.688  0.750  0.107  1.0
  O  O16  1  0.861  0.750  0.777  1.0
  O  O17  1  0.139  0.250  0.223  1.0
  O  O18  1  0.361  0.250  0.723  1.0
  O  O19  1  0.639  0.750  0.277  1.0
  O  O20  1  0.332  0.750  0.730  1.0
  O  O21  1  0.668  0.250  0.270  1.0
  O  O22  1  0.832  0.250  0.770  1.0
  O  O23  1  0.168  0.750  0.230  1.0
  O  O24  1  0.689  0.562  0.573  1.0
  O  O25  1  0.311  0.438  0.427  1.0
  O  O26  1  0.189  0.438  0.927  1.0
  O  O27  1  0.311  0.062  0.427  1.0
  O  O28  1  0.811  0.562  0.073  1.0
  O  O29  1  0.689  0.938  0.573  1.0
  O  O30  1  0.811  0.938  0.073  1.0
  O  O31  1  0.189  0.062  0.927  1.0
  O  O32  1  0.023  0.750  0.513  1.0
  O  O33  1  0.977  0.250  0.487  1.0
  O  O34  1  0.523  0.250  0.987  1.0
  O  O35  1  0.477  0.750  0.013  1.0
[/CIF]
.
The crystal structure described by Ca2BeLaO5 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Be(1) is bonded in a tetrahedral geometry to one O(1), one O(4), and two equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to four equivalent Ca(1), one Be(1), and one La(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Ca(1), one Be(1), and one La(1) atom. In the third O site, O(2) is bonded to four equivalent Ca(1) and two equivalent La(1) atoms to form distorted corner-sharing OCa4La2 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to three equivalent Ca(1), one Be(1), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_Ca2LaBeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   7.290
_cell_length_c   9.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.656
_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  0.579  0.529  0.827  1.0
  Ca  Ca1  1  0.421  0.471  0.173  1.0
  Ca  Ca2  1  0.079  0.471  0.673  1.0
  Ca  Ca3  1  0.421  0.029  0.173  1.0
  Ca  Ca4  1  0.921  0.529  0.327  1.0
  Ca  Ca5  1  0.579  0.971  0.827  1.0
  Ca  Ca6  1  0.921  0.971  0.327  1.0
  Ca  Ca7  1  0.079  0.029  0.673  1.0
  La  La8  1  0.100  0.750  0.973  1.0
  La  La9  1  0.900  0.250  0.027  1.0
  La  La10  1  0.600  0.250  0.527  1.0
  La  La11  1  0.400  0.750  0.473  1.0
  Be  Be12  1  0.812  0.750  0.607  1.0
  Be  Be13  1  0.188  0.250  0.393  1.0
  Be  Be14  1  0.312  0.250  0.893  1.0
  Be  Be15  1  0.688  0.750  0.107  1.0
  O  O16  1  0.861  0.750  0.777  1.0
  O  O17  1  0.139  0.250  0.223  1.0
  O  O18  1  0.361  0.250  0.723  1.0
  O  O19  1  0.639  0.750  0.277  1.0
  O  O20  1  0.332  0.750  0.730  1.0
  O  O21  1  0.668  0.250  0.270  1.0
  O  O22  1  0.832  0.250  0.770  1.0
  O  O23  1  0.168  0.750  0.230  1.0
  O  O24  1  0.689  0.562  0.573  1.0
  O  O25  1  0.311  0.438  0.427  1.0
  O  O26  1  0.189  0.438  0.927  1.0
  O  O27  1  0.311  0.062  0.427  1.0
  O  O28  1  0.811  0.562  0.073  1.0
  O  O29  1  0.689  0.938  0.573  1.0
  O  O30  1  0.811  0.938  0.073  1.0
  O  O31  1  0.189  0.062  0.927  1.0
  O  O32  1  0.023  0.750  0.513  1.0
  O  O33  1  0.977  0.250  0.487  1.0
  O  O34  1  0.523  0.250  0.987  1.0
  O  O35  1  0.477  0.750  0.013  1.0
[/CIF]
.