The compound described by Nb3Cl7 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to one Cl(4), two equivalent Cl(2), and two equivalent Cl(5) atoms. In the second Nb site, Nb(2) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form distorted corner-sharing NbCl5 square pyramids. There are five inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a distorted L-shaped geometry to two equivalent Nb(2) atoms. In the second Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. In the third Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom. In the fourth Cl site, Cl(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(2) atoms. In the fifth Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.275
_cell_length_b   9.275
_cell_length_c   11.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.641
_symmetry_Int_Tables_number   1
_cell_volume   956.115
_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
  Nb  Nb0  1  0.135  0.135  0.904  1.0
  Nb  Nb1  1  0.365  0.365  0.404  1.0
  Nb  Nb2  1  0.635  0.635  0.596  1.0
  Nb  Nb3  1  0.865  0.865  0.096  1.0
  Nb  Nb4  1  0.954  0.171  0.112  1.0
  Nb  Nb5  1  0.546  0.329  0.612  1.0
  Nb  Nb6  1  0.671  0.454  0.388  1.0
  Nb  Nb7  1  0.829  0.046  0.888  1.0
  Nb  Nb8  1  0.046  0.829  0.888  1.0
  Nb  Nb9  1  0.454  0.671  0.388  1.0
  Nb  Nb10  1  0.329  0.546  0.612  1.0
  Nb  Nb11  1  0.171  0.954  0.112  1.0
  Cl  Cl12  1  0.893  0.393  0.250  1.0
  Cl  Cl13  1  0.607  0.107  0.750  1.0
  Cl  Cl14  1  0.107  0.607  0.750  1.0
  Cl  Cl15  1  0.393  0.893  0.250  1.0
  Cl  Cl16  1  0.113  0.362  0.012  1.0
  Cl  Cl17  1  0.387  0.138  0.512  1.0
  Cl  Cl18  1  0.862  0.613  0.488  1.0
  Cl  Cl19  1  0.638  0.887  0.988  1.0
  Cl  Cl20  1  0.887  0.638  0.988  1.0
  Cl  Cl21  1  0.613  0.862  0.488  1.0
  Cl  Cl22  1  0.138  0.387  0.512  1.0
  Cl  Cl23  1  0.362  0.113  0.012  1.0
  Cl  Cl24  1  0.252  0.748  0.000  1.0
  Cl  Cl25  1  0.248  0.752  0.500  1.0
  Cl  Cl26  1  0.748  0.252  0.000  1.0
  Cl  Cl27  1  0.752  0.248  0.500  1.0
  Cl  Cl28  1  0.148  0.148  0.267  1.0
  Cl  Cl29  1  0.352  0.352  0.767  1.0
  Cl  Cl30  1  0.648  0.648  0.233  1.0
  Cl  Cl31  1  0.852  0.852  0.733  1.0
  Cl  Cl32  1  0.532  0.284  0.253  1.0
  Cl  Cl33  1  0.968  0.216  0.753  1.0
  Cl  Cl34  1  0.784  0.032  0.247  1.0
  Cl  Cl35  1  0.716  0.468  0.747  1.0
  Cl  Cl36  1  0.468  0.716  0.747  1.0
  Cl  Cl37  1  0.032  0.784  0.247  1.0
  Cl  Cl38  1  0.216  0.968  0.753  1.0
  Cl  Cl39  1  0.284  0.532  0.253  1.0
[/CIF]
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The compound described by Nb3Cl7 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to one Cl(4), two equivalent Cl(2), and two equivalent Cl(5) atoms. In the second Nb site, Nb(2) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form distorted corner-sharing NbCl5 square pyramids. There are five inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a distorted L-shaped geometry to two equivalent Nb(2) atoms. In the second Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. In the third Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom. In the fourth Cl site, Cl(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(2) atoms. In the fifth Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.275
_cell_length_b   9.275
_cell_length_c   11.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.641
_symmetry_Int_Tables_number   1
_cell_volume   956.115
_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
  Nb  Nb0  1  0.135  0.135  0.904  1.0
  Nb  Nb1  1  0.365  0.365  0.404  1.0
  Nb  Nb2  1  0.635  0.635  0.596  1.0
  Nb  Nb3  1  0.865  0.865  0.096  1.0
  Nb  Nb4  1  0.954  0.171  0.112  1.0
  Nb  Nb5  1  0.546  0.329  0.612  1.0
  Nb  Nb6  1  0.671  0.454  0.388  1.0
  Nb  Nb7  1  0.829  0.046  0.888  1.0
  Nb  Nb8  1  0.046  0.829  0.888  1.0
  Nb  Nb9  1  0.454  0.671  0.388  1.0
  Nb  Nb10  1  0.329  0.546  0.612  1.0
  Nb  Nb11  1  0.171  0.954  0.112  1.0
  Cl  Cl12  1  0.893  0.393  0.250  1.0
  Cl  Cl13  1  0.607  0.107  0.750  1.0
  Cl  Cl14  1  0.107  0.607  0.750  1.0
  Cl  Cl15  1  0.393  0.893  0.250  1.0
  Cl  Cl16  1  0.113  0.362  0.012  1.0
  Cl  Cl17  1  0.387  0.138  0.512  1.0
  Cl  Cl18  1  0.862  0.613  0.488  1.0
  Cl  Cl19  1  0.638  0.887  0.988  1.0
  Cl  Cl20  1  0.887  0.638  0.988  1.0
  Cl  Cl21  1  0.613  0.862  0.488  1.0
  Cl  Cl22  1  0.138  0.387  0.512  1.0
  Cl  Cl23  1  0.362  0.113  0.012  1.0
  Cl  Cl24  1  0.252  0.748  0.000  1.0
  Cl  Cl25  1  0.248  0.752  0.500  1.0
  Cl  Cl26  1  0.748  0.252  0.000  1.0
  Cl  Cl27  1  0.752  0.248  0.500  1.0
  Cl  Cl28  1  0.148  0.148  0.267  1.0
  Cl  Cl29  1  0.352  0.352  0.767  1.0
  Cl  Cl30  1  0.648  0.648  0.233  1.0
  Cl  Cl31  1  0.852  0.852  0.733  1.0
  Cl  Cl32  1  0.532  0.284  0.253  1.0
  Cl  Cl33  1  0.968  0.216  0.753  1.0
  Cl  Cl34  1  0.784  0.032  0.247  1.0
  Cl  Cl35  1  0.716  0.468  0.747  1.0
  Cl  Cl36  1  0.468  0.716  0.747  1.0
  Cl  Cl37  1  0.032  0.784  0.247  1.0
  Cl  Cl38  1  0.216  0.968  0.753  1.0
  Cl  Cl39  1  0.284  0.532  0.253  1.0
[/CIF]
.