The material described by Sr3(GeN)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to three equivalent Ge(1) and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one Ge(1), two equivalent N(1), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to three equivalent Ge(1) and three equivalent N(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Sr(2), three equivalent Sr(1), three equivalent Sr(3), and two equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a distorted water-like geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(2), three equivalent Sr(3), and one Ge(2) atom to form a mixture of distorted edge, face, and corner-sharing NSr5Ge octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second N site, N(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Ge(2) atom to form a mixture of distorted edge, face, and corner-sharing NSr5Ge octahedra. The corner-sharing octahedral tilt angles range from 46-56°. is represented by the CIF card [CIF]
data_Sr3(GeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   9.053
_cell_length_c   9.656
_cell_angle_alpha   112.501
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.735
_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  0.250  0.119  0.353  1.0
  Sr  Sr1  1  0.750  0.881  0.647  1.0
  Sr  Sr2  1  0.250  0.519  0.670  1.0
  Sr  Sr3  1  0.750  0.481  0.330  1.0
  Sr  Sr4  1  0.250  0.317  0.944  1.0
  Sr  Sr5  1  0.750  0.683  0.056  1.0
  Ge  Ge6  1  0.250  0.916  0.944  1.0
  Ge  Ge7  1  0.750  0.084  0.056  1.0
  Ge  Ge8  1  0.750  0.243  0.652  1.0
  Ge  Ge9  1  0.250  0.757  0.348  1.0
  N  N10  1  0.250  0.570  0.174  1.0
  N  N11  1  0.750  0.430  0.826  1.0
  N  N12  1  0.250  0.685  0.507  1.0
  N  N13  1  0.750  0.315  0.493  1.0
[/CIF]
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The material described by Sr3(GeN)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to three equivalent Ge(1) and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one Ge(1), two equivalent N(1), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to three equivalent Ge(1) and three equivalent N(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Sr(2), three equivalent Sr(1), three equivalent Sr(3), and two equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a distorted water-like geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(2), three equivalent Sr(3), and one Ge(2) atom to form a mixture of distorted edge, face, and corner-sharing NSr5Ge octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second N site, N(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Ge(2) atom to form a mixture of distorted edge, face, and corner-sharing NSr5Ge octahedra. The corner-sharing octahedral tilt angles range from 46-56°. is represented by the CIF card [CIF]
data_Sr3(GeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   9.053
_cell_length_c   9.656
_cell_angle_alpha   112.501
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.735
_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  0.250  0.119  0.353  1.0
  Sr  Sr1  1  0.750  0.881  0.647  1.0
  Sr  Sr2  1  0.250  0.519  0.670  1.0
  Sr  Sr3  1  0.750  0.481  0.330  1.0
  Sr  Sr4  1  0.250  0.317  0.944  1.0
  Sr  Sr5  1  0.750  0.683  0.056  1.0
  Ge  Ge6  1  0.250  0.916  0.944  1.0
  Ge  Ge7  1  0.750  0.084  0.056  1.0
  Ge  Ge8  1  0.750  0.243  0.652  1.0
  Ge  Ge9  1  0.250  0.757  0.348  1.0
  N  N10  1  0.250  0.570  0.174  1.0
  N  N11  1  0.750  0.430  0.826  1.0
  N  N12  1  0.250  0.685  0.507  1.0
  N  N13  1  0.750  0.315  0.493  1.0
[/CIF]
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