The crystal structure described by Ba2Ho2Al3Si5N11O3 crystallizes in the trigonal P3m1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent N(1) and three equivalent O(1) atoms to form BaN3O3 octahedra that share corners with three equivalent Al(1)N4 tetrahedra, corners with three equivalent Si(2)N4 tetrahedra, and corners with six equivalent Si(3)N2O2 tetrahedra. In the second Ba site, Ba(2) is bonded to three equivalent N(4) and three equivalent N(5) atoms to form BaN6 octahedra that share corners with three equivalent Si(3)N2O2 tetrahedra, corners with three equivalent Si(1)N4 tetrahedra, and corners with six equivalent Al(1)N4 tetrahedra. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 3-coordinate geometry to three equivalent N(5) atoms. In the second Ho site, Ho(2) is bonded in a 3-coordinate geometry to three equivalent N(5) atoms. Al(1) is bonded to one N(1), one N(2), and two equivalent N(5) atoms to form AlN4 tetrahedra that share  a cornercorner with one Ba(1)N3O3 octahedra, corners with two equivalent Ba(2)N6 octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra, and corners with four equivalent Al(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(2) and three equivalent N(4) atoms to form SiN4 tetrahedra that share corners with three equivalent Ba(2)N6 octahedra, corners with three equivalent Al(1)N4 tetrahedra, and corners with three equivalent Si(3)N2O2 tetrahedra. The corner-sharing octahedral tilt angles are 58°. 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 Ba(1)N3O3 octahedra, corners with three equivalent Al(1)N4 tetrahedra, and corners with three equivalent Si(3)N2O2 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the third Si site, Si(3) is bonded to one N(3), one N(4), and two equivalent O(1) atoms to form SiN2O2 tetrahedra that share  a cornercorner with one Ba(2)N6 octahedra, corners with two equivalent Ba(1)N3O3 octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra, and corners with four equivalent Si(3)N2O2 tetrahedra. The corner-sharing octahedral tilt angles range from 64-68°. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Al(1), and one Si(2) atom. In the second N site, N(2) is bonded to three equivalent Al(1) and one Si(1) atom to form distorted corner-sharing NAl3Si trigonal pyramids. In the third N site, N(3) is bonded in a tetrahedral geometry to one Si(2) and three equivalent Si(3) atoms. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ba(2), one Si(1), and one Si(3) atom. In the fifth N site, N(5) is bonded to one Ba(2), one Ho(1), one Ho(2), and two equivalent Al(1) atoms to form NBaHo2Al2 trigonal bipyramids that share corners with two equivalent N(2)Al3Si trigonal pyramids and edges with four equivalent N(5)BaHo2Al2 trigonal bipyramids. O(1) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Ba2Ho2Al3Si5N11O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.337
_cell_length_b   6.337
_cell_length_c   10.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   373.103
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.333  0.667  0.128  1.0
  Ba  Ba1  1  0.667  0.333  0.652  1.0
  Ho  Ho2  1  0.333  0.667  0.628  1.0
  Ho  Ho3  1  0.667  0.333  0.350  1.0
  Al  Al4  1  0.160  0.840  0.434  1.0
  Al  Al5  1  0.160  0.321  0.434  1.0
  Al  Al6  1  0.679  0.840  0.434  1.0
  Si  Si7  1  0.000  0.000  0.713  1.0
  Si  Si8  1  0.000  0.000  0.216  1.0
  Si  Si9  1  0.342  0.171  0.931  1.0
  Si  Si10  1  0.829  0.658  0.931  1.0
  Si  Si11  1  0.829  0.171  0.931  1.0
  N  N12  1  0.146  0.854  0.265  1.0
  N  N13  1  0.146  0.292  0.265  1.0
  N  N14  1  0.000  0.000  0.537  1.0
  N  N15  1  0.000  0.000  0.019  1.0
  N  N16  1  0.284  0.142  0.780  1.0
  N  N17  1  0.488  0.512  0.488  1.0
  N  N18  1  0.708  0.854  0.265  1.0
  N  N19  1  0.488  0.976  0.488  1.0
  N  N20  1  0.858  0.716  0.780  1.0
  N  N21  1  0.024  0.512  0.488  1.0
  N  N22  1  0.858  0.142  0.780  1.0
  O  O23  1  0.940  0.470  0.974  1.0
  O  O24  1  0.530  0.060  0.974  1.0
  O  O25  1  0.530  0.470  0.974  1.0
[/CIF]
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The crystal structure described by Ba2Ho2Al3Si5N11O3 crystallizes in the trigonal P3m1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent N(1) and three equivalent O(1) atoms to form BaN3O3 octahedra that share corners with three equivalent Al(1)N4 tetrahedra, corners with three equivalent Si(2)N4 tetrahedra, and corners with six equivalent Si(3)N2O2 tetrahedra. In the second Ba site, Ba(2) is bonded to three equivalent N(4) and three equivalent N(5) atoms to form BaN6 octahedra that share corners with three equivalent Si(3)N2O2 tetrahedra, corners with three equivalent Si(1)N4 tetrahedra, and corners with six equivalent Al(1)N4 tetrahedra. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 3-coordinate geometry to three equivalent N(5) atoms. In the second Ho site, Ho(2) is bonded in a 3-coordinate geometry to three equivalent N(5) atoms. Al(1) is bonded to one N(1), one N(2), and two equivalent N(5) atoms to form AlN4 tetrahedra that share  a cornercorner with one Ba(1)N3O3 octahedra, corners with two equivalent Ba(2)N6 octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra, and corners with four equivalent Al(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(2) and three equivalent N(4) atoms to form SiN4 tetrahedra that share corners with three equivalent Ba(2)N6 octahedra, corners with three equivalent Al(1)N4 tetrahedra, and corners with three equivalent Si(3)N2O2 tetrahedra. The corner-sharing octahedral tilt angles are 58°. 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 Ba(1)N3O3 octahedra, corners with three equivalent Al(1)N4 tetrahedra, and corners with three equivalent Si(3)N2O2 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the third Si site, Si(3) is bonded to one N(3), one N(4), and two equivalent O(1) atoms to form SiN2O2 tetrahedra that share  a cornercorner with one Ba(2)N6 octahedra, corners with two equivalent Ba(1)N3O3 octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra, and corners with four equivalent Si(3)N2O2 tetrahedra. The corner-sharing octahedral tilt angles range from 64-68°. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Al(1), and one Si(2) atom. In the second N site, N(2) is bonded to three equivalent Al(1) and one Si(1) atom to form distorted corner-sharing NAl3Si trigonal pyramids. In the third N site, N(3) is bonded in a tetrahedral geometry to one Si(2) and three equivalent Si(3) atoms. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ba(2), one Si(1), and one Si(3) atom. In the fifth N site, N(5) is bonded to one Ba(2), one Ho(1), one Ho(2), and two equivalent Al(1) atoms to form NBaHo2Al2 trigonal bipyramids that share corners with two equivalent N(2)Al3Si trigonal pyramids and edges with four equivalent N(5)BaHo2Al2 trigonal bipyramids. O(1) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Ba2Ho2Al3Si5N11O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.337
_cell_length_b   6.337
_cell_length_c   10.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   373.103
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.333  0.667  0.128  1.0
  Ba  Ba1  1  0.667  0.333  0.652  1.0
  Ho  Ho2  1  0.333  0.667  0.628  1.0
  Ho  Ho3  1  0.667  0.333  0.350  1.0
  Al  Al4  1  0.160  0.840  0.434  1.0
  Al  Al5  1  0.160  0.321  0.434  1.0
  Al  Al6  1  0.679  0.840  0.434  1.0
  Si  Si7  1  0.000  0.000  0.713  1.0
  Si  Si8  1  0.000  0.000  0.216  1.0
  Si  Si9  1  0.342  0.171  0.931  1.0
  Si  Si10  1  0.829  0.658  0.931  1.0
  Si  Si11  1  0.829  0.171  0.931  1.0
  N  N12  1  0.146  0.854  0.265  1.0
  N  N13  1  0.146  0.292  0.265  1.0
  N  N14  1  0.000  0.000  0.537  1.0
  N  N15  1  0.000  0.000  0.019  1.0
  N  N16  1  0.284  0.142  0.780  1.0
  N  N17  1  0.488  0.512  0.488  1.0
  N  N18  1  0.708  0.854  0.265  1.0
  N  N19  1  0.488  0.976  0.488  1.0
  N  N20  1  0.858  0.716  0.780  1.0
  N  N21  1  0.024  0.512  0.488  1.0
  N  N22  1  0.858  0.142  0.780  1.0
  O  O23  1  0.940  0.470  0.974  1.0
  O  O24  1  0.530  0.060  0.974  1.0
  O  O25  1  0.530  0.470  0.974  1.0
[/CIF]
.