The crystal structure described by Na2Gd4NOCl9 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one Cl(1), one Cl(2), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom to form a mixture of distorted corner and edge-sharing NaCl6 pentagonal pyramids. In the second Na site, Na(2) is bonded to one Cl(1), one Cl(2), one Cl(4), one Cl(7), one Cl(8), and one Cl(9) atom to form a mixture of distorted corner and edge-sharing NaCl6 pentagonal pyramids. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 2-coordinate geometry to one N(1), one O(1), one Cl(1), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(8), and one Cl(9) atom. In the second Gd site, Gd(2) is bonded in a 2-coordinate geometry to one N(1), one O(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(8), and one Cl(9) atom. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to one N(1), one O(1), one Cl(1), one Cl(2), one Cl(6), one Cl(7), one Cl(8), and one Cl(9) atom. In the fourth Gd site, Gd(4) is bonded in a 8-coordinate geometry to one N(1), one O(1), one Cl(3), one Cl(4), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom. N(1) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Gd(4) atom to form NGd4 tetrahedra that share edges with two equivalent O(1)Gd4 tetrahedra. O(1) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Gd(4) atom to form OGd4 tetrahedra that share edges with two equivalent N(1)Gd4 tetrahedra. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a see-saw-like geometry to one Na(1), one Na(2), one Gd(1), and one Gd(3) atom. In the second Cl site, Cl(2) is bonded in a see-saw-like geometry to one Na(1), one Na(2), one Gd(2), and one Gd(3) atom. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to one Gd(1), one Gd(2), and one Gd(4) atom. In the fourth Cl site, Cl(4) is bonded in a distorted see-saw-like geometry to one Na(2), one Gd(1), one Gd(2), and one Gd(4) atom. In the fifth Cl site, Cl(5) is bonded in a distorted see-saw-like geometry to one Na(1), one Gd(1), one Gd(2), and one Gd(4) atom. In the sixth Cl site, Cl(6) is bonded in a distorted T-shaped geometry to one Gd(1), one Gd(2), and one Gd(3) atom. In the seventh Cl site, Cl(7) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Gd(3), and one Gd(4) atom. In the eighth Cl site, Cl(8) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Gd(1), one Gd(2), one Gd(3), and one Gd(4) atom. In the ninth Cl site, Cl(9) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Gd(1), one Gd(2), one Gd(3), and one Gd(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Gd4NCl9O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.194
_cell_length_b   9.279
_cell_length_c   11.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.491
_symmetry_Int_Tables_number   1
_cell_volume   811.900
_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  0.221  0.428  0.990  1.0
  Na  Na1  1  0.223  0.429  0.512  1.0
  Na  Na2  1  0.779  0.572  0.490  1.0
  Na  Na3  1  0.777  0.571  0.012  1.0
  Gd  Gd4  1  0.294  0.955  0.451  1.0
  Gd  Gd5  1  0.287  0.954  0.040  1.0
  Gd  Gd6  1  0.390  0.783  0.753  1.0
  Gd  Gd7  1  0.404  0.169  0.753  1.0
  Gd  Gd8  1  0.596  0.831  0.253  1.0
  Gd  Gd9  1  0.610  0.217  0.253  1.0
  Gd  Gd10  1  0.706  0.045  0.951  1.0
  Gd  Gd11  1  0.713  0.046  0.540  1.0
  N  N12  1  0.439  0.985  0.874  1.0
  N  N13  1  0.561  0.015  0.374  1.0
  Cl  Cl14  1  0.110  0.697  0.587  1.0
  Cl  Cl15  1  0.105  0.692  0.914  1.0
  Cl  Cl16  1  0.242  0.749  0.249  1.0
  Cl  Cl17  1  0.120  0.117  0.596  1.0
  Cl  Cl18  1  0.116  0.120  0.904  1.0
  Cl  Cl19  1  0.260  0.143  0.249  1.0
  Cl  Cl20  1  0.350  0.466  0.752  1.0
  Cl  Cl21  1  0.495  0.695  0.005  1.0
  Cl  Cl22  1  0.496  0.695  0.498  1.0
  Cl  Cl23  1  0.505  0.305  0.505  1.0
  Cl  Cl24  1  0.504  0.305  0.998  1.0
  Cl  Cl25  1  0.650  0.534  0.252  1.0
  Cl  Cl26  1  0.740  0.857  0.749  1.0
  Cl  Cl27  1  0.880  0.883  0.096  1.0
  Cl  Cl28  1  0.884  0.880  0.404  1.0
  Cl  Cl29  1  0.758  0.251  0.749  1.0
  Cl  Cl30  1  0.890  0.303  0.087  1.0
  Cl  Cl31  1  0.895  0.308  0.414  1.0
  O  O32  1  0.441  0.985  0.623  1.0
  O  O33  1  0.559  0.015  0.123  1.0
[/CIF]
.
The crystal structure described by Na2Gd4NOCl9 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one Cl(1), one Cl(2), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom to form a mixture of distorted corner and edge-sharing NaCl6 pentagonal pyramids. In the second Na site, Na(2) is bonded to one Cl(1), one Cl(2), one Cl(4), one Cl(7), one Cl(8), and one Cl(9) atom to form a mixture of distorted corner and edge-sharing NaCl6 pentagonal pyramids. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 2-coordinate geometry to one N(1), one O(1), one Cl(1), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(8), and one Cl(9) atom. In the second Gd site, Gd(2) is bonded in a 2-coordinate geometry to one N(1), one O(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(8), and one Cl(9) atom. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to one N(1), one O(1), one Cl(1), one Cl(2), one Cl(6), one Cl(7), one Cl(8), and one Cl(9) atom. In the fourth Gd site, Gd(4) is bonded in a 8-coordinate geometry to one N(1), one O(1), one Cl(3), one Cl(4), one Cl(5), one Cl(7), one Cl(8), and one Cl(9) atom. N(1) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Gd(4) atom to form NGd4 tetrahedra that share edges with two equivalent O(1)Gd4 tetrahedra. O(1) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Gd(4) atom to form OGd4 tetrahedra that share edges with two equivalent N(1)Gd4 tetrahedra. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a see-saw-like geometry to one Na(1), one Na(2), one Gd(1), and one Gd(3) atom. In the second Cl site, Cl(2) is bonded in a see-saw-like geometry to one Na(1), one Na(2), one Gd(2), and one Gd(3) atom. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to one Gd(1), one Gd(2), and one Gd(4) atom. In the fourth Cl site, Cl(4) is bonded in a distorted see-saw-like geometry to one Na(2), one Gd(1), one Gd(2), and one Gd(4) atom. In the fifth Cl site, Cl(5) is bonded in a distorted see-saw-like geometry to one Na(1), one Gd(1), one Gd(2), and one Gd(4) atom. In the sixth Cl site, Cl(6) is bonded in a distorted T-shaped geometry to one Gd(1), one Gd(2), and one Gd(3) atom. In the seventh Cl site, Cl(7) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Gd(3), and one Gd(4) atom. In the eighth Cl site, Cl(8) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Gd(1), one Gd(2), one Gd(3), and one Gd(4) atom. In the ninth Cl site, Cl(9) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Gd(1), one Gd(2), one Gd(3), and one Gd(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Gd4NCl9O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.194
_cell_length_b   9.279
_cell_length_c   11.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.491
_symmetry_Int_Tables_number   1
_cell_volume   811.900
_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  0.221  0.428  0.990  1.0
  Na  Na1  1  0.223  0.429  0.512  1.0
  Na  Na2  1  0.779  0.572  0.490  1.0
  Na  Na3  1  0.777  0.571  0.012  1.0
  Gd  Gd4  1  0.294  0.955  0.451  1.0
  Gd  Gd5  1  0.287  0.954  0.040  1.0
  Gd  Gd6  1  0.390  0.783  0.753  1.0
  Gd  Gd7  1  0.404  0.169  0.753  1.0
  Gd  Gd8  1  0.596  0.831  0.253  1.0
  Gd  Gd9  1  0.610  0.217  0.253  1.0
  Gd  Gd10  1  0.706  0.045  0.951  1.0
  Gd  Gd11  1  0.713  0.046  0.540  1.0
  N  N12  1  0.439  0.985  0.874  1.0
  N  N13  1  0.561  0.015  0.374  1.0
  Cl  Cl14  1  0.110  0.697  0.587  1.0
  Cl  Cl15  1  0.105  0.692  0.914  1.0
  Cl  Cl16  1  0.242  0.749  0.249  1.0
  Cl  Cl17  1  0.120  0.117  0.596  1.0
  Cl  Cl18  1  0.116  0.120  0.904  1.0
  Cl  Cl19  1  0.260  0.143  0.249  1.0
  Cl  Cl20  1  0.350  0.466  0.752  1.0
  Cl  Cl21  1  0.495  0.695  0.005  1.0
  Cl  Cl22  1  0.496  0.695  0.498  1.0
  Cl  Cl23  1  0.505  0.305  0.505  1.0
  Cl  Cl24  1  0.504  0.305  0.998  1.0
  Cl  Cl25  1  0.650  0.534  0.252  1.0
  Cl  Cl26  1  0.740  0.857  0.749  1.0
  Cl  Cl27  1  0.880  0.883  0.096  1.0
  Cl  Cl28  1  0.884  0.880  0.404  1.0
  Cl  Cl29  1  0.758  0.251  0.749  1.0
  Cl  Cl30  1  0.890  0.303  0.087  1.0
  Cl  Cl31  1  0.895  0.308  0.414  1.0
  O  O32  1  0.441  0.985  0.623  1.0
  O  O33  1  0.559  0.015  0.123  1.0
[/CIF]
.