The material structure described by Na3Gd(CO3)3 crystallizes in the orthorhombic Ama2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the third Na site, Na(3) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Gd(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Gd(1), and one C(2) atom to form a mixture of distorted face, corner, and edge-sharing ONa3GdC trigonal bipyramids. In the second O site, O(4) is bonded in a distorted square co-planar geometry to one Na(1), one Na(3), one Gd(1), and one C(1) atom. In the third O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Gd(1), and one C(2) atom. In the fourth O site, O(6) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(2), one Gd(1), and one C(1) atom. In the fifth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Gd(1), and one C(1) atom. In the sixth O site, O(2) is bonded to one Na(1), one Na(2), one Na(3), one Gd(1), and one C(2) atom to form a mixture of distorted face, corner, and edge-sharing ONa3GdC trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Gd(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.609
_cell_length_b   6.609
_cell_length_c   10.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.123
_symmetry_Int_Tables_number   1
_cell_volume   400.123
_cell_formula_units_Z   2
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  0.608  0.644  0.750  1.0
  Na  Na1  1  0.644  0.608  0.250  1.0
  Na  Na2  1  0.945  0.945  0.000  1.0
  Na  Na3  1  0.945  0.945  0.500  1.0
  Na  Na4  1  0.216  0.805  0.750  1.0
  Na  Na5  1  0.805  0.216  0.250  1.0
  Gd  Gd6  1  0.786  0.241  0.750  1.0
  Gd  Gd7  1  0.241  0.786  0.250  1.0
  C  C8  1  0.229  0.252  0.750  1.0
  C  C9  1  0.252  0.229  0.250  1.0
  C  C10  1  0.482  0.891  0.001  1.0
  C  C11  1  0.891  0.482  0.999  1.0
  C  C12  1  0.482  0.891  0.499  1.0
  C  C13  1  0.891  0.482  0.501  1.0
  O  O14  1  0.204  0.436  0.750  1.0
  O  O15  1  0.436  0.204  0.250  1.0
  O  O16  1  0.580  0.911  0.887  1.0
  O  O17  1  0.911  0.580  0.113  1.0
  O  O18  1  0.580  0.911  0.613  1.0
  O  O19  1  0.911  0.580  0.387  1.0
  O  O20  1  0.854  0.571  0.891  1.0
  O  O21  1  0.571  0.854  0.109  1.0
  O  O22  1  0.854  0.571  0.609  1.0
  O  O23  1  0.571  0.854  0.391  1.0
  O  O24  1  0.422  0.247  0.750  1.0
  O  O25  1  0.247  0.422  0.250  1.0
  O  O26  1  0.902  0.292  0.989  1.0
  O  O27  1  0.292  0.902  0.011  1.0
  O  O28  1  0.902  0.292  0.511  1.0
  O  O29  1  0.292  0.902  0.489  1.0
  O  O30  1  0.047  0.066  0.750  1.0
  O  O31  1  0.066  0.047  0.250  1.0
[/CIF]
.
The material structure described by Na3Gd(CO3)3 crystallizes in the orthorhombic Ama2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the third Na site, Na(3) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Gd(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Gd(1), and one C(2) atom to form a mixture of distorted face, corner, and edge-sharing ONa3GdC trigonal bipyramids. In the second O site, O(4) is bonded in a distorted square co-planar geometry to one Na(1), one Na(3), one Gd(1), and one C(1) atom. In the third O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Gd(1), and one C(2) atom. In the fourth O site, O(6) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(2), one Gd(1), and one C(1) atom. In the fifth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Gd(1), and one C(1) atom. In the sixth O site, O(2) is bonded to one Na(1), one Na(2), one Na(3), one Gd(1), and one C(2) atom to form a mixture of distorted face, corner, and edge-sharing ONa3GdC trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Gd(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.609
_cell_length_b   6.609
_cell_length_c   10.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.123
_symmetry_Int_Tables_number   1
_cell_volume   400.123
_cell_formula_units_Z   2
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  0.608  0.644  0.750  1.0
  Na  Na1  1  0.644  0.608  0.250  1.0
  Na  Na2  1  0.945  0.945  0.000  1.0
  Na  Na3  1  0.945  0.945  0.500  1.0
  Na  Na4  1  0.216  0.805  0.750  1.0
  Na  Na5  1  0.805  0.216  0.250  1.0
  Gd  Gd6  1  0.786  0.241  0.750  1.0
  Gd  Gd7  1  0.241  0.786  0.250  1.0
  C  C8  1  0.229  0.252  0.750  1.0
  C  C9  1  0.252  0.229  0.250  1.0
  C  C10  1  0.482  0.891  0.001  1.0
  C  C11  1  0.891  0.482  0.999  1.0
  C  C12  1  0.482  0.891  0.499  1.0
  C  C13  1  0.891  0.482  0.501  1.0
  O  O14  1  0.204  0.436  0.750  1.0
  O  O15  1  0.436  0.204  0.250  1.0
  O  O16  1  0.580  0.911  0.887  1.0
  O  O17  1  0.911  0.580  0.113  1.0
  O  O18  1  0.580  0.911  0.613  1.0
  O  O19  1  0.911  0.580  0.387  1.0
  O  O20  1  0.854  0.571  0.891  1.0
  O  O21  1  0.571  0.854  0.109  1.0
  O  O22  1  0.854  0.571  0.609  1.0
  O  O23  1  0.571  0.854  0.391  1.0
  O  O24  1  0.422  0.247  0.750  1.0
  O  O25  1  0.247  0.422  0.250  1.0
  O  O26  1  0.902  0.292  0.989  1.0
  O  O27  1  0.292  0.902  0.011  1.0
  O  O28  1  0.902  0.292  0.511  1.0
  O  O29  1  0.292  0.902  0.489  1.0
  O  O30  1  0.047  0.066  0.750  1.0
  O  O31  1  0.066  0.047  0.250  1.0
[/CIF]
.