The material described by YbEuSi4N7 crystallizes in the hexagonal P6_3mc space group. Yb(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form YbN6 octahedra that share corners with three equivalent Si(2)N4 tetrahedra and corners with nine equivalent Si(1)N4 tetrahedra. Eu(1) is bonded in a 12-coordinate geometry to six equivalent N(1) and six equivalent N(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) 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(2)N4 tetrahedra, and corners with four equivalent Si(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Si site, Si(2) is bonded to one N(3) and three equivalent N(1) atoms to form SiN4 tetrahedra that share corners with three equivalent Yb(1)N6 octahedra and corners with six equivalent Si(1)N4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Yb(1), two equivalent Eu(1), one Si(1), and one Si(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Yb(1), two equivalent Eu(1), and two equivalent Si(1) atoms. In the third N site, N(3) is bonded in a tetrahedral geometry to one Si(2) and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbEuSi4N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.035
_cell_length_b   6.035
_cell_length_c   9.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   312.309
_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
  Yb  Yb0  1  0.667  0.333  0.237  1.0
  Yb  Yb1  1  0.333  0.667  0.737  1.0
  Eu  Eu2  1  0.333  0.667  0.381  1.0
  Eu  Eu3  1  0.667  0.333  0.881  1.0
  Si  Si4  1  0.826  0.653  0.546  1.0
  Si  Si5  1  0.174  0.826  0.046  1.0
  Si  Si6  1  0.653  0.826  0.046  1.0
  Si  Si7  1  0.347  0.174  0.546  1.0
  Si  Si8  1  0.826  0.174  0.546  1.0
  Si  Si9  1  0.174  0.347  0.046  1.0
  Si  Si10  1  0.000  0.000  0.812  1.0
  Si  Si11  1  0.000  0.000  0.312  1.0
  N  N12  1  0.152  0.303  0.874  1.0
  N  N13  1  0.848  0.152  0.374  1.0
  N  N14  1  0.303  0.152  0.374  1.0
  N  N15  1  0.697  0.848  0.874  1.0
  N  N16  1  0.152  0.848  0.874  1.0
  N  N17  1  0.848  0.697  0.374  1.0
  N  N18  1  0.981  0.490  0.593  1.0
  N  N19  1  0.490  0.981  0.093  1.0
  N  N20  1  0.490  0.510  0.093  1.0
  N  N21  1  0.510  0.490  0.593  1.0
  N  N22  1  0.510  0.019  0.593  1.0
  N  N23  1  0.019  0.510  0.093  1.0
  N  N24  1  0.000  0.000  0.123  1.0
  N  N25  1  0.000  0.000  0.623  1.0
[/CIF]
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The material described by YbEuSi4N7 crystallizes in the hexagonal P6_3mc space group. Yb(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form YbN6 octahedra that share corners with three equivalent Si(2)N4 tetrahedra and corners with nine equivalent Si(1)N4 tetrahedra. Eu(1) is bonded in a 12-coordinate geometry to six equivalent N(1) and six equivalent N(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) 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(2)N4 tetrahedra, and corners with four equivalent Si(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Si site, Si(2) is bonded to one N(3) and three equivalent N(1) atoms to form SiN4 tetrahedra that share corners with three equivalent Yb(1)N6 octahedra and corners with six equivalent Si(1)N4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Yb(1), two equivalent Eu(1), one Si(1), and one Si(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Yb(1), two equivalent Eu(1), and two equivalent Si(1) atoms. In the third N site, N(3) is bonded in a tetrahedral geometry to one Si(2) and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbEuSi4N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.035
_cell_length_b   6.035
_cell_length_c   9.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   312.309
_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
  Yb  Yb0  1  0.667  0.333  0.237  1.0
  Yb  Yb1  1  0.333  0.667  0.737  1.0
  Eu  Eu2  1  0.333  0.667  0.381  1.0
  Eu  Eu3  1  0.667  0.333  0.881  1.0
  Si  Si4  1  0.826  0.653  0.546  1.0
  Si  Si5  1  0.174  0.826  0.046  1.0
  Si  Si6  1  0.653  0.826  0.046  1.0
  Si  Si7  1  0.347  0.174  0.546  1.0
  Si  Si8  1  0.826  0.174  0.546  1.0
  Si  Si9  1  0.174  0.347  0.046  1.0
  Si  Si10  1  0.000  0.000  0.812  1.0
  Si  Si11  1  0.000  0.000  0.312  1.0
  N  N12  1  0.152  0.303  0.874  1.0
  N  N13  1  0.848  0.152  0.374  1.0
  N  N14  1  0.303  0.152  0.374  1.0
  N  N15  1  0.697  0.848  0.874  1.0
  N  N16  1  0.152  0.848  0.874  1.0
  N  N17  1  0.848  0.697  0.374  1.0
  N  N18  1  0.981  0.490  0.593  1.0
  N  N19  1  0.490  0.981  0.093  1.0
  N  N20  1  0.490  0.510  0.093  1.0
  N  N21  1  0.510  0.490  0.593  1.0
  N  N22  1  0.510  0.019  0.593  1.0
  N  N23  1  0.019  0.510  0.093  1.0
  N  N24  1  0.000  0.000  0.123  1.0
  N  N25  1  0.000  0.000  0.623  1.0
[/CIF]
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