The compound described by SrMg5N4 crystallizes in the orthorhombic Pmmn space group. Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted SrN4 tetrahedra that share corners with four equivalent Mg(2)N4 tetrahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Mg site, Mg(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MgN4 tetrahedra that share corners with four equivalent Sr(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), one Mg(2), and two equivalent Mg(1) atoms to form NSrMg3 tetrahedra that share corners with eight equivalent N(2)SrMg5 octahedra and corners with two equivalent N(1)SrMg3 tetrahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the second N site, N(2) is bonded to one Sr(1), one Mg(2), and four equivalent Mg(1) atoms to form NSrMg5 octahedra that share corners with two equivalent N(2)SrMg5 octahedra, corners with eight equivalent N(1)SrMg3 tetrahedra, and edges with two equivalent N(2)SrMg5 octahedra. The corner-sharing octahedral tilt angles range from 58-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMg5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.382
_cell_length_b   6.772
_cell_length_c   5.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.367
_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
  Sr  Sr0  1  0.750  0.250  0.718  1.0
  Sr  Sr1  1  0.250  0.750  0.282  1.0
  Mg  Mg2  1  0.572  0.504  0.267  1.0
  Mg  Mg3  1  0.928  0.504  0.267  1.0
  Mg  Mg4  1  0.572  0.996  0.267  1.0
  Mg  Mg5  1  0.928  0.996  0.267  1.0
  Mg  Mg6  1  0.428  0.496  0.733  1.0
  Mg  Mg7  1  0.072  0.496  0.733  1.0
  Mg  Mg8  1  0.428  0.004  0.733  1.0
  Mg  Mg9  1  0.072  0.004  0.733  1.0
  Mg  Mg10  1  0.750  0.750  0.769  1.0
  Mg  Mg11  1  0.250  0.250  0.231  1.0
  N  N12  1  0.750  0.990  0.010  1.0
  N  N13  1  0.750  0.510  0.010  1.0
  N  N14  1  0.250  0.010  0.990  1.0
  N  N15  1  0.250  0.490  0.990  1.0
  N  N16  1  0.522  0.750  0.524  1.0
  N  N17  1  0.978  0.750  0.524  1.0
  N  N18  1  0.478  0.250  0.476  1.0
  N  N19  1  0.022  0.250  0.476  1.0
[/CIF]
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The compound described by SrMg5N4 crystallizes in the orthorhombic Pmmn space group. Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted SrN4 tetrahedra that share corners with four equivalent Mg(2)N4 tetrahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Mg site, Mg(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MgN4 tetrahedra that share corners with four equivalent Sr(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), one Mg(2), and two equivalent Mg(1) atoms to form NSrMg3 tetrahedra that share corners with eight equivalent N(2)SrMg5 octahedra and corners with two equivalent N(1)SrMg3 tetrahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the second N site, N(2) is bonded to one Sr(1), one Mg(2), and four equivalent Mg(1) atoms to form NSrMg5 octahedra that share corners with two equivalent N(2)SrMg5 octahedra, corners with eight equivalent N(1)SrMg3 tetrahedra, and edges with two equivalent N(2)SrMg5 octahedra. The corner-sharing octahedral tilt angles range from 58-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMg5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.382
_cell_length_b   6.772
_cell_length_c   5.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.367
_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
  Sr  Sr0  1  0.750  0.250  0.718  1.0
  Sr  Sr1  1  0.250  0.750  0.282  1.0
  Mg  Mg2  1  0.572  0.504  0.267  1.0
  Mg  Mg3  1  0.928  0.504  0.267  1.0
  Mg  Mg4  1  0.572  0.996  0.267  1.0
  Mg  Mg5  1  0.928  0.996  0.267  1.0
  Mg  Mg6  1  0.428  0.496  0.733  1.0
  Mg  Mg7  1  0.072  0.496  0.733  1.0
  Mg  Mg8  1  0.428  0.004  0.733  1.0
  Mg  Mg9  1  0.072  0.004  0.733  1.0
  Mg  Mg10  1  0.750  0.750  0.769  1.0
  Mg  Mg11  1  0.250  0.250  0.231  1.0
  N  N12  1  0.750  0.990  0.010  1.0
  N  N13  1  0.750  0.510  0.010  1.0
  N  N14  1  0.250  0.010  0.990  1.0
  N  N15  1  0.250  0.490  0.990  1.0
  N  N16  1  0.522  0.750  0.524  1.0
  N  N17  1  0.978  0.750  0.524  1.0
  N  N18  1  0.478  0.250  0.476  1.0
  N  N19  1  0.022  0.250  0.476  1.0
[/CIF]
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