The structure described by Sr6Ge5N2 crystallizes in the orthorhombic Pmmn space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Ge(2), three equivalent Ge(3), and two equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to three equivalent Ge(2), three equivalent Ge(3), and one N(1) atom. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. In the fourth Sr site, Sr(4) is bonded in a 4-coordinate geometry to two equivalent Ge(2) and four equivalent N(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted water-like geometry to one Sr(3) and two equivalent N(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Sr(1), one Sr(4), two equivalent Sr(3), three equivalent Sr(2), and two equivalent Ge(3) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Sr(3), three equivalent Sr(1), three equivalent Sr(2), and two equivalent Ge(2) atoms. N(1) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(4), and one Ge(1) atom to form a mixture of distorted face, corner, and edge-sharing NSr5Ge octahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the CIF file [CIF]
data_Sr6Ge5N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.030
_cell_length_b   9.111
_cell_length_c   17.998
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   660.876
_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  0.000  0.463  0.360  1.0
  Sr  Sr1  1  0.500  0.114  0.684  1.0
  Sr  Sr2  1  0.500  0.760  0.500  1.0
  Sr  Sr3  1  0.500  0.537  0.860  1.0
  Sr  Sr4  1  0.000  0.886  0.184  1.0
  Sr  Sr5  1  0.000  0.240  0.000  1.0
  Sr  Sr6  1  0.500  0.838  0.000  1.0
  Sr  Sr7  1  0.500  0.537  0.140  1.0
  Sr  Sr8  1  0.000  0.162  0.500  1.0
  Sr  Sr9  1  0.000  0.886  0.816  1.0
  Sr  Sr10  1  0.500  0.114  0.316  1.0
  Sr  Sr11  1  0.000  0.463  0.640  1.0
  Ge  Ge12  1  0.500  0.420  0.500  1.0
  Ge  Ge13  1  0.000  0.855  0.630  1.0
  Ge  Ge14  1  0.500  0.738  0.694  1.0
  Ge  Ge15  1  0.000  0.262  0.806  1.0
  Ge  Ge16  1  0.000  0.580  0.000  1.0
  Ge  Ge17  1  0.500  0.145  0.130  1.0
  Ge  Ge18  1  0.000  0.855  0.370  1.0
  Ge  Ge19  1  0.500  0.145  0.870  1.0
  Ge  Ge20  1  0.500  0.738  0.306  1.0
  Ge  Ge21  1  0.000  0.262  0.194  1.0
  N  N22  1  0.500  0.293  0.417  1.0
  N  N23  1  0.000  0.707  0.083  1.0
  N  N24  1  0.000  0.707  0.917  1.0
  N  N25  1  0.500  0.293  0.583  1.0
[/CIF]
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The structure described by Sr6Ge5N2 crystallizes in the orthorhombic Pmmn space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Ge(2), three equivalent Ge(3), and two equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to three equivalent Ge(2), three equivalent Ge(3), and one N(1) atom. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. In the fourth Sr site, Sr(4) is bonded in a 4-coordinate geometry to two equivalent Ge(2) and four equivalent N(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted water-like geometry to one Sr(3) and two equivalent N(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Sr(1), one Sr(4), two equivalent Sr(3), three equivalent Sr(2), and two equivalent Ge(3) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Sr(3), three equivalent Sr(1), three equivalent Sr(2), and two equivalent Ge(2) atoms. N(1) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(4), and one Ge(1) atom to form a mixture of distorted face, corner, and edge-sharing NSr5Ge octahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the CIF file [CIF]
data_Sr6Ge5N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.030
_cell_length_b   9.111
_cell_length_c   17.998
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   660.876
_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  0.000  0.463  0.360  1.0
  Sr  Sr1  1  0.500  0.114  0.684  1.0
  Sr  Sr2  1  0.500  0.760  0.500  1.0
  Sr  Sr3  1  0.500  0.537  0.860  1.0
  Sr  Sr4  1  0.000  0.886  0.184  1.0
  Sr  Sr5  1  0.000  0.240  0.000  1.0
  Sr  Sr6  1  0.500  0.838  0.000  1.0
  Sr  Sr7  1  0.500  0.537  0.140  1.0
  Sr  Sr8  1  0.000  0.162  0.500  1.0
  Sr  Sr9  1  0.000  0.886  0.816  1.0
  Sr  Sr10  1  0.500  0.114  0.316  1.0
  Sr  Sr11  1  0.000  0.463  0.640  1.0
  Ge  Ge12  1  0.500  0.420  0.500  1.0
  Ge  Ge13  1  0.000  0.855  0.630  1.0
  Ge  Ge14  1  0.500  0.738  0.694  1.0
  Ge  Ge15  1  0.000  0.262  0.806  1.0
  Ge  Ge16  1  0.000  0.580  0.000  1.0
  Ge  Ge17  1  0.500  0.145  0.130  1.0
  Ge  Ge18  1  0.000  0.855  0.370  1.0
  Ge  Ge19  1  0.500  0.145  0.870  1.0
  Ge  Ge20  1  0.500  0.738  0.306  1.0
  Ge  Ge21  1  0.000  0.262  0.194  1.0
  N  N22  1  0.500  0.293  0.417  1.0
  N  N23  1  0.000  0.707  0.083  1.0
  N  N24  1  0.000  0.707  0.917  1.0
  N  N25  1  0.500  0.293  0.583  1.0
[/CIF]
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