The material described by CaBeNd2O5 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(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Nd site, Nd(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 to two equivalent Ca(1), two equivalent Nd(1), and two equivalent Nd(2) atoms to form distorted corner-sharing OCa2Nd4 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one Nd(1), and two equivalent Nd(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one Nd(1), and two equivalent Nd(2) atoms. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ca(1), one Be(1), two equivalent Nd(1), and two equivalent Nd(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 Nd(2), and two equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_CaNd2BeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   7.211
_cell_length_c   9.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.418
_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  0.578  0.980  0.676  1.0
  Ca  Ca1  1  0.422  0.480  0.324  1.0
  Ca  Ca2  1  0.078  0.480  0.824  1.0
  Ca  Ca3  1  0.922  0.980  0.176  1.0
  Nd  Nd4  1  0.098  0.746  0.524  1.0
  Nd  Nd5  1  0.402  0.746  0.024  1.0
  Nd  Nd6  1  0.902  0.246  0.476  1.0
  Nd  Nd7  1  0.598  0.246  0.976  1.0
  Nd  Nd8  1  0.927  0.527  0.172  1.0
  Nd  Nd9  1  0.073  0.027  0.828  1.0
  Nd  Nd10  1  0.427  0.027  0.328  1.0
  Nd  Nd11  1  0.573  0.527  0.672  1.0
  Be  Be12  1  0.693  0.749  0.397  1.0
  Be  Be13  1  0.807  0.749  0.897  1.0
  Be  Be14  1  0.307  0.249  0.603  1.0
  Be  Be15  1  0.193  0.249  0.103  1.0
  O  O16  1  0.167  0.749  0.274  1.0
  O  O17  1  0.333  0.749  0.774  1.0
  O  O18  1  0.833  0.249  0.726  1.0
  O  O19  1  0.667  0.249  0.226  1.0
  O  O20  1  0.019  0.750  0.989  1.0
  O  O21  1  0.481  0.750  0.489  1.0
  O  O22  1  0.981  0.250  0.011  1.0
  O  O23  1  0.519  0.250  0.511  1.0
  O  O24  1  0.640  0.750  0.223  1.0
  O  O25  1  0.860  0.750  0.723  1.0
  O  O26  1  0.360  0.250  0.777  1.0
  O  O27  1  0.140  0.250  0.277  1.0
  O  O28  1  0.312  0.057  0.071  1.0
  O  O29  1  0.193  0.442  0.573  1.0
  O  O30  1  0.688  0.557  0.929  1.0
  O  O31  1  0.807  0.942  0.427  1.0
  O  O32  1  0.693  0.942  0.927  1.0
  O  O33  1  0.812  0.557  0.429  1.0
  O  O34  1  0.307  0.442  0.073  1.0
  O  O35  1  0.188  0.057  0.571  1.0
[/CIF]
.
The material described by CaBeNd2O5 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(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Nd site, Nd(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 to two equivalent Ca(1), two equivalent Nd(1), and two equivalent Nd(2) atoms to form distorted corner-sharing OCa2Nd4 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one Nd(1), and two equivalent Nd(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Be(1), one Nd(1), and two equivalent Nd(2) atoms. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ca(1), one Be(1), two equivalent Nd(1), and two equivalent Nd(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 Nd(2), and two equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_CaNd2BeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   7.211
_cell_length_c   9.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.418
_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  0.578  0.980  0.676  1.0
  Ca  Ca1  1  0.422  0.480  0.324  1.0
  Ca  Ca2  1  0.078  0.480  0.824  1.0
  Ca  Ca3  1  0.922  0.980  0.176  1.0
  Nd  Nd4  1  0.098  0.746  0.524  1.0
  Nd  Nd5  1  0.402  0.746  0.024  1.0
  Nd  Nd6  1  0.902  0.246  0.476  1.0
  Nd  Nd7  1  0.598  0.246  0.976  1.0
  Nd  Nd8  1  0.927  0.527  0.172  1.0
  Nd  Nd9  1  0.073  0.027  0.828  1.0
  Nd  Nd10  1  0.427  0.027  0.328  1.0
  Nd  Nd11  1  0.573  0.527  0.672  1.0
  Be  Be12  1  0.693  0.749  0.397  1.0
  Be  Be13  1  0.807  0.749  0.897  1.0
  Be  Be14  1  0.307  0.249  0.603  1.0
  Be  Be15  1  0.193  0.249  0.103  1.0
  O  O16  1  0.167  0.749  0.274  1.0
  O  O17  1  0.333  0.749  0.774  1.0
  O  O18  1  0.833  0.249  0.726  1.0
  O  O19  1  0.667  0.249  0.226  1.0
  O  O20  1  0.019  0.750  0.989  1.0
  O  O21  1  0.481  0.750  0.489  1.0
  O  O22  1  0.981  0.250  0.011  1.0
  O  O23  1  0.519  0.250  0.511  1.0
  O  O24  1  0.640  0.750  0.223  1.0
  O  O25  1  0.860  0.750  0.723  1.0
  O  O26  1  0.360  0.250  0.777  1.0
  O  O27  1  0.140  0.250  0.277  1.0
  O  O28  1  0.312  0.057  0.071  1.0
  O  O29  1  0.193  0.442  0.573  1.0
  O  O30  1  0.688  0.557  0.929  1.0
  O  O31  1  0.807  0.942  0.427  1.0
  O  O32  1  0.693  0.942  0.927  1.0
  O  O33  1  0.812  0.557  0.429  1.0
  O  O34  1  0.307  0.442  0.073  1.0
  O  O35  1  0.188  0.057  0.571  1.0
[/CIF]
.