The material structure described by Zn2GeSiN4 is Stannite-like structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form ZnN4 tetrahedra that share corners with two equivalent Zn(1)N4 tetrahedra, corners with two equivalent Zn(2)N4 tetrahedra, corners with four equivalent Ge(1)N4 tetrahedra, and corners with four equivalent Si(1)N4 tetrahedra. In the second Zn site, Zn(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form ZnN4 tetrahedra that share corners with two equivalent Zn(1)N4 tetrahedra, corners with two equivalent Zn(2)N4 tetrahedra, corners with four equivalent Ge(1)N4 tetrahedra, and corners with four equivalent Si(1)N4 tetrahedra. Ge(1) is bonded to one N(3), one N(4), and two equivalent N(1) atoms to form GeN4 tetrahedra that share corners with two equivalent Ge(1)N4 tetrahedra, corners with two equivalent Si(1)N4 tetrahedra, corners with four equivalent Zn(1)N4 tetrahedra, and corners with four equivalent Zn(2)N4 tetrahedra. Si(1) is bonded to one N(3), one N(4), and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with two equivalent Ge(1)N4 tetrahedra, corners with two equivalent Si(1)N4 tetrahedra, corners with four equivalent Zn(1)N4 tetrahedra, and corners with four equivalent Zn(2)N4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zn(1), one Zn(2), and two equivalent Ge(1) atoms to form NZn2Ge2 tetrahedra that share corners with two equivalent N(1)Zn2Ge2 tetrahedra, corners with two equivalent N(2)Zn2Si2 tetrahedra, corners with four equivalent N(3)Zn2SiGe tetrahedra, and corners with four equivalent N(4)Zn2SiGe tetrahedra. In the second N site, N(2) is bonded to one Zn(1), one Zn(2), and two equivalent Si(1) atoms to form NZn2Si2 tetrahedra that share corners with two equivalent N(1)Zn2Ge2 tetrahedra, corners with two equivalent N(2)Zn2Si2 tetrahedra, corners with four equivalent N(3)Zn2SiGe tetrahedra, and corners with four equivalent N(4)Zn2SiGe tetrahedra. In the third N site, N(3) is bonded to two equivalent Zn(2), one Ge(1), and one Si(1) atom to form NZn2SiGe tetrahedra that share corners with two equivalent N(3)Zn2SiGe tetrahedra, corners with two equivalent N(4)Zn2SiGe tetrahedra, corners with four equivalent N(1)Zn2Ge2 tetrahedra, and corners with four equivalent N(2)Zn2Si2 tetrahedra. In the fourth N site, N(4) is bonded to two equivalent Zn(1), one Ge(1), and one Si(1) atom to form NZn2SiGe tetrahedra that share corners with two equivalent N(3)Zn2SiGe tetrahedra, corners with two equivalent N(4)Zn2SiGe tetrahedra, corners with four equivalent N(1)Zn2Ge2 tetrahedra, and corners with four equivalent N(2)Zn2Si2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2SiGeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.153
_cell_length_b   5.401
_cell_length_c   6.406
_cell_angle_alpha   89.832
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.309
_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
  Zn  Zn0  1  0.004  0.079  0.627  1.0
  Zn  Zn1  1  0.504  0.921  0.373  1.0
  Zn  Zn2  1  0.505  0.412  0.121  1.0
  Zn  Zn3  1  0.005  0.588  0.879  1.0
  Si  Si4  1  0.005  0.072  0.121  1.0
  Si  Si5  1  0.505  0.928  0.879  1.0
  Ge  Ge6  1  0.507  0.426  0.630  1.0
  Ge  Ge7  1  0.007  0.574  0.370  1.0
  N  N8  1  0.869  0.436  0.612  1.0
  N  N9  1  0.369  0.564  0.388  1.0
  N  N10  1  0.347  0.058  0.096  1.0
  N  N11  1  0.847  0.942  0.904  1.0
  N  N12  1  0.904  0.384  0.139  1.0
  N  N13  1  0.404  0.616  0.861  1.0
  N  N14  1  0.406  0.092  0.654  1.0
  N  N15  1  0.906  0.908  0.346  1.0
[/CIF]
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The material structure described by Zn2GeSiN4 is Stannite-like structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form ZnN4 tetrahedra that share corners with two equivalent Zn(1)N4 tetrahedra, corners with two equivalent Zn(2)N4 tetrahedra, corners with four equivalent Ge(1)N4 tetrahedra, and corners with four equivalent Si(1)N4 tetrahedra. In the second Zn site, Zn(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form ZnN4 tetrahedra that share corners with two equivalent Zn(1)N4 tetrahedra, corners with two equivalent Zn(2)N4 tetrahedra, corners with four equivalent Ge(1)N4 tetrahedra, and corners with four equivalent Si(1)N4 tetrahedra. Ge(1) is bonded to one N(3), one N(4), and two equivalent N(1) atoms to form GeN4 tetrahedra that share corners with two equivalent Ge(1)N4 tetrahedra, corners with two equivalent Si(1)N4 tetrahedra, corners with four equivalent Zn(1)N4 tetrahedra, and corners with four equivalent Zn(2)N4 tetrahedra. Si(1) is bonded to one N(3), one N(4), and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with two equivalent Ge(1)N4 tetrahedra, corners with two equivalent Si(1)N4 tetrahedra, corners with four equivalent Zn(1)N4 tetrahedra, and corners with four equivalent Zn(2)N4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zn(1), one Zn(2), and two equivalent Ge(1) atoms to form NZn2Ge2 tetrahedra that share corners with two equivalent N(1)Zn2Ge2 tetrahedra, corners with two equivalent N(2)Zn2Si2 tetrahedra, corners with four equivalent N(3)Zn2SiGe tetrahedra, and corners with four equivalent N(4)Zn2SiGe tetrahedra. In the second N site, N(2) is bonded to one Zn(1), one Zn(2), and two equivalent Si(1) atoms to form NZn2Si2 tetrahedra that share corners with two equivalent N(1)Zn2Ge2 tetrahedra, corners with two equivalent N(2)Zn2Si2 tetrahedra, corners with four equivalent N(3)Zn2SiGe tetrahedra, and corners with four equivalent N(4)Zn2SiGe tetrahedra. In the third N site, N(3) is bonded to two equivalent Zn(2), one Ge(1), and one Si(1) atom to form NZn2SiGe tetrahedra that share corners with two equivalent N(3)Zn2SiGe tetrahedra, corners with two equivalent N(4)Zn2SiGe tetrahedra, corners with four equivalent N(1)Zn2Ge2 tetrahedra, and corners with four equivalent N(2)Zn2Si2 tetrahedra. In the fourth N site, N(4) is bonded to two equivalent Zn(1), one Ge(1), and one Si(1) atom to form NZn2SiGe tetrahedra that share corners with two equivalent N(3)Zn2SiGe tetrahedra, corners with two equivalent N(4)Zn2SiGe tetrahedra, corners with four equivalent N(1)Zn2Ge2 tetrahedra, and corners with four equivalent N(2)Zn2Si2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2SiGeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.153
_cell_length_b   5.401
_cell_length_c   6.406
_cell_angle_alpha   89.832
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.309
_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
  Zn  Zn0  1  0.004  0.079  0.627  1.0
  Zn  Zn1  1  0.504  0.921  0.373  1.0
  Zn  Zn2  1  0.505  0.412  0.121  1.0
  Zn  Zn3  1  0.005  0.588  0.879  1.0
  Si  Si4  1  0.005  0.072  0.121  1.0
  Si  Si5  1  0.505  0.928  0.879  1.0
  Ge  Ge6  1  0.507  0.426  0.630  1.0
  Ge  Ge7  1  0.007  0.574  0.370  1.0
  N  N8  1  0.869  0.436  0.612  1.0
  N  N9  1  0.369  0.564  0.388  1.0
  N  N10  1  0.347  0.058  0.096  1.0
  N  N11  1  0.847  0.942  0.904  1.0
  N  N12  1  0.904  0.384  0.139  1.0
  N  N13  1  0.404  0.616  0.861  1.0
  N  N14  1  0.406  0.092  0.654  1.0
  N  N15  1  0.906  0.908  0.346  1.0
[/CIF]
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