The material described by CaBeGd2O5 crystallizes in the orthorhombic Pna2_1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Be(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Gd site, Gd(2) 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. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ca(1), one Be(1), one Gd(1), and two equivalent Gd(2) atoms. In the second O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Gd(1), and two equivalent Gd(2) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one Gd(1), and two equivalent Gd(2) atoms. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), one Be(1), two equivalent Gd(1), and two equivalent Gd(2) atoms. In the fifth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ca(1), one Be(1), one Gd(2), and two equivalent Gd(1) atoms. is represented by the CIF card [CIF]
data_CaGd2BeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.427
_cell_length_b   7.060
_cell_length_c   9.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.065
_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  0.581  0.982  0.676  1.0
  Ca  Ca1  1  0.419  0.482  0.324  1.0
  Ca  Ca2  1  0.081  0.482  0.824  1.0
  Ca  Ca3  1  0.919  0.982  0.176  1.0
  Gd  Gd4  1  0.096  0.746  0.522  1.0
  Gd  Gd5  1  0.404  0.746  0.022  1.0
  Gd  Gd6  1  0.904  0.246  0.478  1.0
  Gd  Gd7  1  0.596  0.246  0.978  1.0
  Gd  Gd8  1  0.928  0.528  0.174  1.0
  Gd  Gd9  1  0.072  0.028  0.826  1.0
  Gd  Gd10  1  0.428  0.028  0.326  1.0
  Gd  Gd11  1  0.572  0.528  0.674  1.0
  Be  Be12  1  0.694  0.748  0.397  1.0
  Be  Be13  1  0.806  0.748  0.897  1.0
  Be  Be14  1  0.306  0.248  0.603  1.0
  Be  Be15  1  0.194  0.248  0.103  1.0
  O  O16  1  0.164  0.747  0.277  1.0
  O  O17  1  0.336  0.747  0.777  1.0
  O  O18  1  0.836  0.247  0.723  1.0
  O  O19  1  0.664  0.247  0.223  1.0
  O  O20  1  0.020  0.750  0.990  1.0
  O  O21  1  0.480  0.750  0.490  1.0
  O  O22  1  0.980  0.250  0.010  1.0
  O  O23  1  0.520  0.250  0.510  1.0
  O  O24  1  0.317  0.055  0.073  1.0
  O  O25  1  0.192  0.445  0.573  1.0
  O  O26  1  0.683  0.555  0.927  1.0
  O  O27  1  0.808  0.945  0.427  1.0
  O  O28  1  0.692  0.945  0.927  1.0
  O  O29  1  0.817  0.555  0.427  1.0
  O  O30  1  0.308  0.445  0.073  1.0
  O  O31  1  0.183  0.055  0.573  1.0
  O  O32  1  0.639  0.749  0.221  1.0
  O  O33  1  0.861  0.749  0.721  1.0
  O  O34  1  0.361  0.249  0.779  1.0
  O  O35  1  0.139  0.249  0.279  1.0
[/CIF]
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The material described by CaBeGd2O5 crystallizes in the orthorhombic Pna2_1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Be(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Gd site, Gd(2) 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. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ca(1), one Be(1), one Gd(1), and two equivalent Gd(2) atoms. In the second O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Gd(1), and two equivalent Gd(2) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one Gd(1), and two equivalent Gd(2) atoms. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), one Be(1), two equivalent Gd(1), and two equivalent Gd(2) atoms. In the fifth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ca(1), one Be(1), one Gd(2), and two equivalent Gd(1) atoms. is represented by the CIF card [CIF]
data_CaGd2BeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.427
_cell_length_b   7.060
_cell_length_c   9.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.065
_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  0.581  0.982  0.676  1.0
  Ca  Ca1  1  0.419  0.482  0.324  1.0
  Ca  Ca2  1  0.081  0.482  0.824  1.0
  Ca  Ca3  1  0.919  0.982  0.176  1.0
  Gd  Gd4  1  0.096  0.746  0.522  1.0
  Gd  Gd5  1  0.404  0.746  0.022  1.0
  Gd  Gd6  1  0.904  0.246  0.478  1.0
  Gd  Gd7  1  0.596  0.246  0.978  1.0
  Gd  Gd8  1  0.928  0.528  0.174  1.0
  Gd  Gd9  1  0.072  0.028  0.826  1.0
  Gd  Gd10  1  0.428  0.028  0.326  1.0
  Gd  Gd11  1  0.572  0.528  0.674  1.0
  Be  Be12  1  0.694  0.748  0.397  1.0
  Be  Be13  1  0.806  0.748  0.897  1.0
  Be  Be14  1  0.306  0.248  0.603  1.0
  Be  Be15  1  0.194  0.248  0.103  1.0
  O  O16  1  0.164  0.747  0.277  1.0
  O  O17  1  0.336  0.747  0.777  1.0
  O  O18  1  0.836  0.247  0.723  1.0
  O  O19  1  0.664  0.247  0.223  1.0
  O  O20  1  0.020  0.750  0.990  1.0
  O  O21  1  0.480  0.750  0.490  1.0
  O  O22  1  0.980  0.250  0.010  1.0
  O  O23  1  0.520  0.250  0.510  1.0
  O  O24  1  0.317  0.055  0.073  1.0
  O  O25  1  0.192  0.445  0.573  1.0
  O  O26  1  0.683  0.555  0.927  1.0
  O  O27  1  0.808  0.945  0.427  1.0
  O  O28  1  0.692  0.945  0.927  1.0
  O  O29  1  0.817  0.555  0.427  1.0
  O  O30  1  0.308  0.445  0.073  1.0
  O  O31  1  0.183  0.055  0.573  1.0
  O  O32  1  0.639  0.749  0.221  1.0
  O  O33  1  0.861  0.749  0.721  1.0
  O  O34  1  0.361  0.249  0.779  1.0
  O  O35  1  0.139  0.249  0.279  1.0
[/CIF]
.