The material described by Gd2NCl3 crystallizes in the orthorhombic Pbcn space group. Gd(1) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent Cl(2), and three equivalent Cl(1) atoms. N(1) is bonded to four equivalent Gd(1) atoms to form edge-sharing NGd4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to three equivalent Gd(1) atoms. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to four equivalent Gd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.150
_cell_length_b   6.736
_cell_length_c   13.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.430
_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
  Gd  Gd0  1  0.993  0.327  0.408  1.0
  Gd  Gd1  1  0.493  0.173  0.092  1.0
  Gd  Gd2  1  0.507  0.327  0.592  1.0
  Gd  Gd3  1  0.007  0.173  0.908  1.0
  Gd  Gd4  1  0.007  0.673  0.592  1.0
  Gd  Gd5  1  0.507  0.827  0.908  1.0
  Gd  Gd6  1  0.493  0.673  0.408  1.0
  Gd  Gd7  1  0.993  0.827  0.092  1.0
  N  N8  1  0.750  0.510  0.500  1.0
  N  N9  1  0.250  0.990  0.000  1.0
  N  N10  1  0.250  0.490  0.500  1.0
  N  N11  1  0.750  0.010  0.000  1.0
  Cl  Cl12  1  0.111  0.135  0.221  1.0
  Cl  Cl13  1  0.611  0.365  0.279  1.0
  Cl  Cl14  1  0.389  0.135  0.779  1.0
  Cl  Cl15  1  0.889  0.365  0.721  1.0
  Cl  Cl16  1  0.750  0.502  0.000  1.0
  Cl  Cl17  1  0.250  0.998  0.500  1.0
  Cl  Cl18  1  0.250  0.498  0.000  1.0
  Cl  Cl19  1  0.750  0.002  0.500  1.0
  Cl  Cl20  1  0.111  0.635  0.279  1.0
  Cl  Cl21  1  0.611  0.865  0.221  1.0
  Cl  Cl22  1  0.389  0.635  0.721  1.0
  Cl  Cl23  1  0.889  0.865  0.779  1.0
[/CIF]
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The material described by Gd2NCl3 crystallizes in the orthorhombic Pbcn space group. Gd(1) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent Cl(2), and three equivalent Cl(1) atoms. N(1) is bonded to four equivalent Gd(1) atoms to form edge-sharing NGd4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to three equivalent Gd(1) atoms. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to four equivalent Gd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.150
_cell_length_b   6.736
_cell_length_c   13.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.430
_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
  Gd  Gd0  1  0.993  0.327  0.408  1.0
  Gd  Gd1  1  0.493  0.173  0.092  1.0
  Gd  Gd2  1  0.507  0.327  0.592  1.0
  Gd  Gd3  1  0.007  0.173  0.908  1.0
  Gd  Gd4  1  0.007  0.673  0.592  1.0
  Gd  Gd5  1  0.507  0.827  0.908  1.0
  Gd  Gd6  1  0.493  0.673  0.408  1.0
  Gd  Gd7  1  0.993  0.827  0.092  1.0
  N  N8  1  0.750  0.510  0.500  1.0
  N  N9  1  0.250  0.990  0.000  1.0
  N  N10  1  0.250  0.490  0.500  1.0
  N  N11  1  0.750  0.010  0.000  1.0
  Cl  Cl12  1  0.111  0.135  0.221  1.0
  Cl  Cl13  1  0.611  0.365  0.279  1.0
  Cl  Cl14  1  0.389  0.135  0.779  1.0
  Cl  Cl15  1  0.889  0.365  0.721  1.0
  Cl  Cl16  1  0.750  0.502  0.000  1.0
  Cl  Cl17  1  0.250  0.998  0.500  1.0
  Cl  Cl18  1  0.250  0.498  0.000  1.0
  Cl  Cl19  1  0.750  0.002  0.500  1.0
  Cl  Cl20  1  0.111  0.635  0.279  1.0
  Cl  Cl21  1  0.611  0.865  0.221  1.0
  Cl  Cl22  1  0.389  0.635  0.721  1.0
  Cl  Cl23  1  0.889  0.865  0.779  1.0
[/CIF]
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