The structure described by SrYbSi4N7 crystallizes in the hexagonal P6_3mc space group. Sr(1) is bonded to six equivalent N(2) and six equivalent N(3) atoms to form distorted SrN12 cuboctahedra that share corners with twelve equivalent Sr(1)N12 cuboctahedra, edges with three equivalent Si(1)N4 tetrahedra, edges with nine equivalent Si(2)N4 tetrahedra, and faces with four equivalent Yb(1)N6 octahedra. Yb(1) is bonded to three equivalent N(2) and three equivalent N(3) atoms to form YbN6 octahedra that share corners with three equivalent Si(1)N4 tetrahedra, corners with nine equivalent Si(2)N4 tetrahedra, and faces with four equivalent Sr(1)N12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1) and three equivalent N(3) atoms to form SiN4 tetrahedra that share corners with three equivalent Yb(1)N6 octahedra, corners with six equivalent Si(2)N4 tetrahedra, and edges with three equivalent Sr(1)N12 cuboctahedra. The corner-sharing octahedral tilt angles are 57°. In the second Si site, Si(2) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with three equivalent Yb(1)N6 octahedra, corners with two equivalent Si(1)N4 tetrahedra, corners with four equivalent Si(2)N4 tetrahedra, and edges with three equivalent Sr(1)N12 cuboctahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a tetrahedral geometry to one Si(1) and three equivalent Si(2) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one Yb(1), and two equivalent Si(2) atoms. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1), one Yb(1), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_SrYbSi4N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   6.084
_cell_length_c   9.865
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   316.231
_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  0.333  0.667  0.369  1.0
  Sr  Sr1  1  0.667  0.333  0.869  1.0
  Yb  Yb2  1  0.667  0.333  0.235  1.0
  Yb  Yb3  1  0.333  0.667  0.735  1.0
  Si  Si4  1  0.000  0.000  0.313  1.0
  Si  Si5  1  0.000  0.000  0.813  1.0
  Si  Si6  1  0.174  0.348  0.047  1.0
  Si  Si7  1  0.826  0.174  0.547  1.0
  Si  Si8  1  0.348  0.174  0.547  1.0
  Si  Si9  1  0.652  0.826  0.047  1.0
  Si  Si10  1  0.174  0.826  0.047  1.0
  Si  Si11  1  0.826  0.652  0.547  1.0
  N  N12  1  0.000  0.000  0.124  1.0
  N  N13  1  0.000  0.000  0.624  1.0
  N  N14  1  0.023  0.512  0.095  1.0
  N  N15  1  0.512  0.023  0.595  1.0
  N  N16  1  0.512  0.488  0.595  1.0
  N  N17  1  0.488  0.512  0.095  1.0
  N  N18  1  0.488  0.977  0.095  1.0
  N  N19  1  0.977  0.488  0.595  1.0
  N  N20  1  0.849  0.698  0.375  1.0
  N  N21  1  0.151  0.849  0.875  1.0
  N  N22  1  0.698  0.849  0.875  1.0
  N  N23  1  0.302  0.151  0.375  1.0
  N  N24  1  0.849  0.151  0.375  1.0
  N  N25  1  0.151  0.302  0.875  1.0
[/CIF]
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The structure described by SrYbSi4N7 crystallizes in the hexagonal P6_3mc space group. Sr(1) is bonded to six equivalent N(2) and six equivalent N(3) atoms to form distorted SrN12 cuboctahedra that share corners with twelve equivalent Sr(1)N12 cuboctahedra, edges with three equivalent Si(1)N4 tetrahedra, edges with nine equivalent Si(2)N4 tetrahedra, and faces with four equivalent Yb(1)N6 octahedra. Yb(1) is bonded to three equivalent N(2) and three equivalent N(3) atoms to form YbN6 octahedra that share corners with three equivalent Si(1)N4 tetrahedra, corners with nine equivalent Si(2)N4 tetrahedra, and faces with four equivalent Sr(1)N12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1) and three equivalent N(3) atoms to form SiN4 tetrahedra that share corners with three equivalent Yb(1)N6 octahedra, corners with six equivalent Si(2)N4 tetrahedra, and edges with three equivalent Sr(1)N12 cuboctahedra. The corner-sharing octahedral tilt angles are 57°. In the second Si site, Si(2) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with three equivalent Yb(1)N6 octahedra, corners with two equivalent Si(1)N4 tetrahedra, corners with four equivalent Si(2)N4 tetrahedra, and edges with three equivalent Sr(1)N12 cuboctahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a tetrahedral geometry to one Si(1) and three equivalent Si(2) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one Yb(1), and two equivalent Si(2) atoms. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1), one Yb(1), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_SrYbSi4N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   6.084
_cell_length_c   9.865
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   316.231
_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  0.333  0.667  0.369  1.0
  Sr  Sr1  1  0.667  0.333  0.869  1.0
  Yb  Yb2  1  0.667  0.333  0.235  1.0
  Yb  Yb3  1  0.333  0.667  0.735  1.0
  Si  Si4  1  0.000  0.000  0.313  1.0
  Si  Si5  1  0.000  0.000  0.813  1.0
  Si  Si6  1  0.174  0.348  0.047  1.0
  Si  Si7  1  0.826  0.174  0.547  1.0
  Si  Si8  1  0.348  0.174  0.547  1.0
  Si  Si9  1  0.652  0.826  0.047  1.0
  Si  Si10  1  0.174  0.826  0.047  1.0
  Si  Si11  1  0.826  0.652  0.547  1.0
  N  N12  1  0.000  0.000  0.124  1.0
  N  N13  1  0.000  0.000  0.624  1.0
  N  N14  1  0.023  0.512  0.095  1.0
  N  N15  1  0.512  0.023  0.595  1.0
  N  N16  1  0.512  0.488  0.595  1.0
  N  N17  1  0.488  0.512  0.095  1.0
  N  N18  1  0.488  0.977  0.095  1.0
  N  N19  1  0.977  0.488  0.595  1.0
  N  N20  1  0.849  0.698  0.375  1.0
  N  N21  1  0.151  0.849  0.875  1.0
  N  N22  1  0.698  0.849  0.875  1.0
  N  N23  1  0.302  0.151  0.375  1.0
  N  N24  1  0.849  0.151  0.375  1.0
  N  N25  1  0.151  0.302  0.875  1.0
[/CIF]
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