The material structure described by Mg7SnN6 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted MgN4 tetrahedra that share corners with two equivalent Mg(2)N4 tetrahedra, corners with two equivalent Mg(3)N4 tetrahedra, corners with two equivalent Sn(1)N4 tetrahedra, and edges with three equivalent Mg(2)N4 tetrahedra. In the third Mg site, Mg(3) is bonded to four equivalent N(1) atoms to form distorted MgN4 tetrahedra that share corners with eight equivalent Mg(2)N4 tetrahedra and edges with two equivalent Sn(1)N4 tetrahedra. Sn(1) is bonded to four equivalent N(1) atoms to form SnN4 tetrahedra that share corners with eight equivalent Mg(2)N4 tetrahedra and edges with two equivalent Mg(3)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), one Mg(3), two equivalent Mg(2), and one Sn(1) atom to form a mixture of corner and edge-sharing NMg4Sn square pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg7SnN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   8.575
_cell_length_c   8.575
_cell_angle_alpha   76.808
_cell_angle_beta   70.893
_cell_angle_gamma   70.893
_symmetry_Int_Tables_number   1
_cell_volume   365.092
_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
  Mg  Mg0  1  0.258  0.970  0.030  1.0
  Mg  Mg1  1  0.742  0.030  0.970  1.0
  Mg  Mg2  1  0.242  0.470  0.530  1.0
  Mg  Mg3  1  0.758  0.530  0.470  1.0
  Mg  Mg4  1  0.628  0.142  0.638  1.0
  Mg  Mg5  1  0.592  0.638  0.142  1.0
  Mg  Mg6  1  0.872  0.862  0.358  1.0
  Mg  Mg7  1  0.908  0.358  0.862  1.0
  Mg  Mg8  1  0.372  0.858  0.362  1.0
  Mg  Mg9  1  0.408  0.362  0.858  1.0
  Mg  Mg10  1  0.128  0.138  0.642  1.0
  Mg  Mg11  1  0.092  0.642  0.138  1.0
  Mg  Mg12  1  0.250  0.250  0.250  1.0
  Mg  Mg13  1  0.750  0.750  0.750  1.0
  Sn  Sn14  1  0.750  0.250  0.250  1.0
  Sn  Sn15  1  0.250  0.750  0.750  1.0
  N  N16  1  0.079  0.051  0.271  1.0
  N  N17  1  0.599  0.271  0.051  1.0
  N  N18  1  0.421  0.229  0.449  1.0
  N  N19  1  0.901  0.449  0.229  1.0
  N  N20  1  0.921  0.949  0.729  1.0
  N  N21  1  0.401  0.729  0.949  1.0
  N  N22  1  0.579  0.771  0.551  1.0
  N  N23  1  0.099  0.551  0.771  1.0
  N  N24  1  0.775  0.338  0.662  1.0
  N  N25  1  0.225  0.662  0.338  1.0
  N  N26  1  0.725  0.838  0.162  1.0
  N  N27  1  0.275  0.162  0.838  1.0
[/CIF]
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The material structure described by Mg7SnN6 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted MgN4 tetrahedra that share corners with two equivalent Mg(2)N4 tetrahedra, corners with two equivalent Mg(3)N4 tetrahedra, corners with two equivalent Sn(1)N4 tetrahedra, and edges with three equivalent Mg(2)N4 tetrahedra. In the third Mg site, Mg(3) is bonded to four equivalent N(1) atoms to form distorted MgN4 tetrahedra that share corners with eight equivalent Mg(2)N4 tetrahedra and edges with two equivalent Sn(1)N4 tetrahedra. Sn(1) is bonded to four equivalent N(1) atoms to form SnN4 tetrahedra that share corners with eight equivalent Mg(2)N4 tetrahedra and edges with two equivalent Mg(3)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), one Mg(3), two equivalent Mg(2), and one Sn(1) atom to form a mixture of corner and edge-sharing NMg4Sn square pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg7SnN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   8.575
_cell_length_c   8.575
_cell_angle_alpha   76.808
_cell_angle_beta   70.893
_cell_angle_gamma   70.893
_symmetry_Int_Tables_number   1
_cell_volume   365.092
_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
  Mg  Mg0  1  0.258  0.970  0.030  1.0
  Mg  Mg1  1  0.742  0.030  0.970  1.0
  Mg  Mg2  1  0.242  0.470  0.530  1.0
  Mg  Mg3  1  0.758  0.530  0.470  1.0
  Mg  Mg4  1  0.628  0.142  0.638  1.0
  Mg  Mg5  1  0.592  0.638  0.142  1.0
  Mg  Mg6  1  0.872  0.862  0.358  1.0
  Mg  Mg7  1  0.908  0.358  0.862  1.0
  Mg  Mg8  1  0.372  0.858  0.362  1.0
  Mg  Mg9  1  0.408  0.362  0.858  1.0
  Mg  Mg10  1  0.128  0.138  0.642  1.0
  Mg  Mg11  1  0.092  0.642  0.138  1.0
  Mg  Mg12  1  0.250  0.250  0.250  1.0
  Mg  Mg13  1  0.750  0.750  0.750  1.0
  Sn  Sn14  1  0.750  0.250  0.250  1.0
  Sn  Sn15  1  0.250  0.750  0.750  1.0
  N  N16  1  0.079  0.051  0.271  1.0
  N  N17  1  0.599  0.271  0.051  1.0
  N  N18  1  0.421  0.229  0.449  1.0
  N  N19  1  0.901  0.449  0.229  1.0
  N  N20  1  0.921  0.949  0.729  1.0
  N  N21  1  0.401  0.729  0.949  1.0
  N  N22  1  0.579  0.771  0.551  1.0
  N  N23  1  0.099  0.551  0.771  1.0
  N  N24  1  0.775  0.338  0.662  1.0
  N  N25  1  0.225  0.662  0.338  1.0
  N  N26  1  0.725  0.838  0.162  1.0
  N  N27  1  0.275  0.162  0.838  1.0
[/CIF]
.