The crystal structure described by CaBeLa2O5 crystallizes in the orthorhombic Pna2_1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Be(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one La(1), and two equivalent La(2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one La(1), and two equivalent La(2) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1), two equivalent La(1), and two equivalent La(2) atoms to form distorted corner-sharing OCa2La4 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ca(1), one Be(1), two equivalent La(1), and two equivalent La(2) atoms. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to two equivalent Ca(1), one Be(1), one La(2), and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaLa2BeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.627
_cell_length_b   7.294
_cell_length_c   9.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.791
_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  0.577  0.978  0.674  1.0
  Ca  Ca1  1  0.423  0.478  0.326  1.0
  Ca  Ca2  1  0.077  0.478  0.826  1.0
  Ca  Ca3  1  0.923  0.978  0.174  1.0
  La  La4  1  0.097  0.746  0.524  1.0
  La  La5  1  0.403  0.746  0.024  1.0
  La  La6  1  0.903  0.246  0.476  1.0
  La  La7  1  0.597  0.246  0.976  1.0
  La  La8  1  0.926  0.527  0.172  1.0
  La  La9  1  0.074  0.027  0.828  1.0
  La  La10  1  0.426  0.027  0.328  1.0
  La  La11  1  0.574  0.527  0.672  1.0
  Be  Be12  1  0.694  0.749  0.395  1.0
  Be  Be13  1  0.806  0.749  0.895  1.0
  Be  Be14  1  0.306  0.249  0.605  1.0
  Be  Be15  1  0.194  0.249  0.105  1.0
  O  O16  1  0.017  0.750  0.986  1.0
  O  O17  1  0.483  0.750  0.486  1.0
  O  O18  1  0.983  0.250  0.014  1.0
  O  O19  1  0.517  0.250  0.514  1.0
  O  O20  1  0.641  0.750  0.225  1.0
  O  O21  1  0.859  0.750  0.725  1.0
  O  O22  1  0.359  0.250  0.775  1.0
  O  O23  1  0.141  0.250  0.275  1.0
  O  O24  1  0.162  0.749  0.273  1.0
  O  O25  1  0.338  0.749  0.773  1.0
  O  O26  1  0.838  0.249  0.727  1.0
  O  O27  1  0.662  0.249  0.227  1.0
  O  O28  1  0.311  0.059  0.072  1.0
  O  O29  1  0.192  0.442  0.573  1.0
  O  O30  1  0.689  0.559  0.928  1.0
  O  O31  1  0.808  0.942  0.427  1.0
  O  O32  1  0.692  0.942  0.927  1.0
  O  O33  1  0.811  0.559  0.428  1.0
  O  O34  1  0.308  0.442  0.073  1.0
  O  O35  1  0.189  0.059  0.572  1.0
[/CIF]
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The crystal structure described by CaBeLa2O5 crystallizes in the orthorhombic Pna2_1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Be(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one La(1), and two equivalent La(2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one La(1), and two equivalent La(2) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1), two equivalent La(1), and two equivalent La(2) atoms to form distorted corner-sharing OCa2La4 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ca(1), one Be(1), two equivalent La(1), and two equivalent La(2) atoms. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to two equivalent Ca(1), one Be(1), one La(2), and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaLa2BeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.627
_cell_length_b   7.294
_cell_length_c   9.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.791
_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  0.577  0.978  0.674  1.0
  Ca  Ca1  1  0.423  0.478  0.326  1.0
  Ca  Ca2  1  0.077  0.478  0.826  1.0
  Ca  Ca3  1  0.923  0.978  0.174  1.0
  La  La4  1  0.097  0.746  0.524  1.0
  La  La5  1  0.403  0.746  0.024  1.0
  La  La6  1  0.903  0.246  0.476  1.0
  La  La7  1  0.597  0.246  0.976  1.0
  La  La8  1  0.926  0.527  0.172  1.0
  La  La9  1  0.074  0.027  0.828  1.0
  La  La10  1  0.426  0.027  0.328  1.0
  La  La11  1  0.574  0.527  0.672  1.0
  Be  Be12  1  0.694  0.749  0.395  1.0
  Be  Be13  1  0.806  0.749  0.895  1.0
  Be  Be14  1  0.306  0.249  0.605  1.0
  Be  Be15  1  0.194  0.249  0.105  1.0
  O  O16  1  0.017  0.750  0.986  1.0
  O  O17  1  0.483  0.750  0.486  1.0
  O  O18  1  0.983  0.250  0.014  1.0
  O  O19  1  0.517  0.250  0.514  1.0
  O  O20  1  0.641  0.750  0.225  1.0
  O  O21  1  0.859  0.750  0.725  1.0
  O  O22  1  0.359  0.250  0.775  1.0
  O  O23  1  0.141  0.250  0.275  1.0
  O  O24  1  0.162  0.749  0.273  1.0
  O  O25  1  0.338  0.749  0.773  1.0
  O  O26  1  0.838  0.249  0.727  1.0
  O  O27  1  0.662  0.249  0.227  1.0
  O  O28  1  0.311  0.059  0.072  1.0
  O  O29  1  0.192  0.442  0.573  1.0
  O  O30  1  0.689  0.559  0.928  1.0
  O  O31  1  0.808  0.942  0.427  1.0
  O  O32  1  0.692  0.942  0.927  1.0
  O  O33  1  0.811  0.559  0.428  1.0
  O  O34  1  0.308  0.442  0.073  1.0
  O  O35  1  0.189  0.059  0.572  1.0
[/CIF]
.