data_Na2Gd2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76
_cell_length_b   6.37
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   117.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Gd2B2O7
_chemical_formula_sum   'Na8 Gd8 B8 O28'
_cell_volume   632.25
_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
  Na  Na0  1  0.95  0.56  0.22  1.0
  Na  Na1  1  0.37  0.37  0.39  1.0
  Na  Na2  1  0.99  0.43  0.17  1.0
  Na  Na3  1  0.51  0.0  0.83  1.0
  Na  Na4  1  0.33  0.61  0.44  1.0
  Na  Na5  1  0.55  0.76  0.78  1.0
  Na  Na6  1  0.89  0.94  0.05  1.0
  Na  Na7  1  0.92  0.82  0.0  1.0
  Gd  Gd8  1  0.63  0.27  0.94  1.0
  Gd  Gd9  1  0.12  0.7  0.42  1.0
  Gd  Gd10  1  0.18  0.91  0.55  1.0
  Gd  Gd11  1  0.32  0.52  0.41  1.0
  Gd  Gd12  1  0.25  0.1  0.29  1.0
  Gd  Gd13  1  0.69  0.46  0.68  1.0
  Gd  Gd14  1  0.76  0.67  0.8  1.0
  Gd  Gd15  1  0.56  0.86  0.81  1.0
  B  B16  1  0.35  0.8  0.89  1.0
  B  B17  1  0.8  0.4  0.23  1.0
  B  B18  1  0.08  0.97  1.0  1.0
  B  B19  1  0.91  0.76  0.5  1.0
  B  B20  1  0.35  0.15  0.84  1.0
  B  B21  1  0.52  0.22  0.39  1.0
  B  B22  1  0.52  0.57  0.33  1.0
  B  B23  1  0.97  0.62  0.72  1.0
  O  O24  1  0.57  0.96  0.52  1.0
  O  O25  1  0.85  0.68  0.83  1.0
  O  O26  1  0.19  0.45  0.82  1.0
  O  O27  1  0.79  0.75  0.49  1.0
  O  O28  1  0.88  0.12  0.75  1.0
  O  O29  1  0.56  0.93  0.08  1.0
  O  O30  1  0.86  0.78  0.32  1.0
  O  O31  1  0.86  0.08  0.69  1.0
  O  O32  1  0.58  0.87  0.01  1.0
  O  O33  1  0.52  0.56  0.13  1.0
  O  O34  1  0.31  0.55  0.85  1.0
  O  O35  1  0.01  0.59  0.91  1.0
  O  O36  1  0.3  0.41  0.71  1.0
  O  O37  1  0.35  0.81  0.1  1.0
  O  O38  1  1.0  0.25  0.47  1.0
  O  O39  1  0.75  0.63  0.23  1.0
  O  O40  1  0.29  0.51  0.21  1.0
  O  O41  1  0.69  0.93  0.41  1.0
  O  O42  1  0.57  0.82  0.38  1.0
  O  O43  1  0.01  0.29  0.53  1.0
  O  O44  1  0.13  0.26  0.8  1.0
  O  O45  1  0.13  0.74  0.99  1.0
  O  O46  1  0.75  0.11  0.43  1.0
  O  O47  1  0.57  0.27  0.15  1.0
  O  O48  1  0.3  0.1  0.08  1.0
  O  O49  1  0.08  0.62  0.74  1.0
  O  O50  1  0.32  0.44  0.14  1.0
  O  O51  1  0.03  0.69  0.4  1.0

data_Na2Gd2B2O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.37
_cell_length_b   10.44
_cell_length_c   10.76
_cell_angle_alpha   117.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2Gd2B2O7
_chemical_formula_sum   'Na8 Gd8 B8 O28'
_cell_volume   632.25
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Na  Na0  2  0.18  0.28  0.93  1.0
  Na  Na1  2  0.24  0.06  0.55  1.0
  Na  Na2  2  0.37  0.11  0.51  1.0
  Na  Na3  2  0.43  0.33  0.89  1.0
  Gd  Gd4  2  0.09  0.82  0.19  1.0
  Gd  Gd5  2  0.27  0.56  0.25  1.0
  Gd  Gd6  2  0.33  0.3  0.88  1.0
  Gd  Gd7  2  0.48  0.69  0.32  1.0
  B  B8  2  0.03  0.27  0.08  1.0
  B  B9  2  0.22  0.11  0.36  1.0
  B  B10  2  0.38  0.22  0.09  1.0
  B  B11  2  0.43  0.61  0.53  1.0
  O  O12  2  0.07  0.36  0.56  1.0
  O  O13  2  0.07  0.68  0.69  1.0
  O  O14  2  0.08  0.03  0.13  1.0
  O  O15  2  0.1  0.42  0.57  1.0
  O  O16  2  0.22  0.59  0.87  1.0
  O  O17  2  0.25  0.03  0.88  1.0
  O  O18  2  0.26  0.7  0.75  1.0
  O  O19  2  0.32  0.1  0.85  1.0
  O  O20  2  0.37  0.73  0.87  1.0
  O  O21  2  0.38  0.01  0.09  1.0
  O  O22  2  0.41  0.79  0.58  1.0
  O  O23  2  0.44  0.63  0.65  1.0
  O  O24  2  0.45  0.12  0.31  1.0
  O  O25  2  0.49  0.71  0.41  1.0

Na Na Na Na Na Na Na Na Gd Gd Gd Gd Gd Gd Gd Gd B B B B B B B B O O O O O O O O O O O O O O O O O O O O O O O O O O O O
Na2Gd2(BO3)2O is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Na2Gd2B3O10 clusters and two Na2Gd2BO4 clusters. In each Na2Gd2B3O10 cluster, there are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one Na(3), one B(2), one O(2), and one O(7) atom. The Na(1)-Na(3) bond length is 1.13 Å. The Na(1)-B(2) bond length is 1.96 Å. The Na(1)-O(2) bond length is 1.85 Å. The Na(1)-O(7) bond length is 2.20 Å. In the second Na site, Na(3) is bonded in a distorted single-bond geometry to one Na(1) atom. There are two inequivalent Gd sites. In the first Gd site, Gd(2) is bonded in a single-bond geometry to one Gd(3) and one O(2) atom. The Gd(2)-Gd(3) bond length is 1.77 Å. The Gd(2)-O(2) bond length is 0.89 Å. In the second Gd site, Gd(3) is bonded in a 2-coordinate geometry to one Gd(2) and one O(5) atom. The Gd(3)-O(5) bond length is 2.79 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one O(10) and one O(11) atom. The B(1)-O(10) bond length is 2.15 Å. The B(1)-O(11) bond length is 1.67 Å. In the second B site, B(2) is bonded in a 2-coordinate geometry to one Na(1) and one O(12) atom. The B(2)-O(12) bond length is 1.57 Å. In the third B site, B(3) is bonded in a 1-coordinate geometry to one O(4) and one O(7) atom. The B(3)-O(4) bond length is 1.20 Å. The B(3)-O(7) bond length is 1.76 Å. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a 1-coordinate geometry to one B(1) atom. In the second O site, O(11) is bonded in a distorted single-bond geometry to one B(1) and one O(3) atom. The O(11)-O(3) bond length is 1.34 Å. In the third O site, O(12) is bonded in a distorted single-bond geometry to one B(2) atom. In the fourth O site, O(13) is bonded in a single-bond geometry to one O(3) atom. The O(13)-O(3) bond length is 1.31 Å. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1) and one Gd(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one O(11), one O(13), and one O(4) atom. The O(3)-O(4) bond length is 1.53 Å. In the seventh O site, O(4) is bonded in a single-bond geometry to one B(3) and one O(3) atom. In the eighth O site, O(5) is bonded in a distorted water-like geometry to one Gd(3) and one O(8) atom. The O(5)-O(8) bond length is 0.66 Å. In the ninth O site, O(7) is bonded in a 1-coordinate geometry to one Na(1) and one B(3) atom. In the tenth O site, O(8) is bonded in a single-bond geometry to one O(5) atom. In each Na2Gd2BO4 cluster, there are two inequivalent Na sites. In the first Na site, Na(2) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(4), one B(4), and one O(9) atom. The Na(2)-Gd(1) bond length is 2.10 Å. The Na(2)-Gd(4) bond length is 1.12 Å. The Na(2)-B(4) bond length is 1.96 Å. The Na(2)-O(9) bond length is 1.85 Å. In the second Na site, Na(4) is bonded in a single-bond geometry to one Gd(4) atom. The Na(4)-Gd(4) bond length is 0.70 Å. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 2-coordinate geometry to one Na(2) and one O(14) atom. The Gd(1)-O(14) bond length is 2.51 Å. In the second Gd site, Gd(4) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one O(9) atom. The Gd(4)-O(9) bond length is 1.94 Å. B(4) is bonded in a water-like geometry to one Na(2) and one O(1) atom. The B(4)-O(1) bond length is 2.04 Å. There are four inequivalent O sites. In the first O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Gd(4), and one O(6) atom. The O(9)-O(6) bond length is 1.00 Å. In the second O site, O(14) is bonded in a 1-coordinate geometry to one Gd(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one B(4) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to one O(9) atom.