The compound described by Zr10Al6O crystallizes in the trigonal P3m1 space group. There are eight inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Al(1), one Al(2), one Al(3), one Al(4), one Al(5), and one Al(6) atom. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to one Al(1), one Al(2), one Al(3), one Al(4), one Al(5), and one Al(6) atom. In the third Zr site, Zr(3) is bonded in a distorted single-bond geometry to one Al(3), two equivalent Al(1), two equivalent Al(2), and one O(3) atom. In the fourth Zr site, Zr(4) is bonded in a distorted single-bond geometry to one Al(4), two equivalent Al(1), two equivalent Al(2), and one O(3) atom. In the fifth Zr site, Zr(5) is bonded in a distorted single-bond geometry to one Al(5), two equivalent Al(3), two equivalent Al(6), and one O(1) atom. In the sixth Zr site, Zr(6) is bonded in a distorted single-bond geometry to one Al(6), two equivalent Al(4), two equivalent Al(5), and one O(2) atom. In the seventh Zr site, Zr(7) is bonded in a distorted single-bond geometry to one Al(1), two equivalent Al(4), two equivalent Al(5), and one O(2) atom. In the eighth Zr site, Zr(8) is bonded in a distorted single-bond geometry to one Al(2), two equivalent Al(3), two equivalent Al(6), and one O(1) atom. There are six inequivalent Al sites. In the first Al site, Al(2) is bonded in a 10-coordinate geometry to one Zr(8), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), two equivalent Zr(4), and one Al(3) atom. In the second Al site, Al(3) is bonded in a 10-coordinate geometry to one Zr(3), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(5), two equivalent Zr(8), and one Al(2) atom. In the third Al site, Al(4) is bonded in a 10-coordinate geometry to one Zr(4), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(6), two equivalent Zr(7), and one Al(1) atom. In the fourth Al site, Al(5) is bonded in a 9-coordinate geometry to one Zr(5), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(6), and two equivalent Zr(7) atoms. In the fifth Al site, Al(6) is bonded in a 9-coordinate geometry to one Zr(6), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(5), and two equivalent Zr(8) atoms. In the sixth Al site, Al(1) is bonded in a 10-coordinate geometry to one Zr(7), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), two equivalent Zr(4), and one Al(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in an octahedral geometry to three equivalent Zr(5) and three equivalent Zr(8) atoms. In the second O site, O(2) is bonded in an octahedral geometry to three equivalent Zr(6) and three equivalent Zr(7) atoms. In the third O site, O(3) is bonded in an octahedral geometry to three equivalent Zr(3) and three equivalent Zr(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr10Al6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.272
_cell_length_b   14.272
_cell_length_c   5.646
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   995.955
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.323  0.984  0.495  1.0
  Zr  Zr1  1  0.661  0.677  0.495  1.0
  Zr  Zr2  1  0.016  0.339  0.495  1.0
  Zr  Zr3  1  0.661  0.984  0.495  1.0
  Zr  Zr4  1  0.016  0.677  0.495  1.0
  Zr  Zr5  1  0.323  0.339  0.495  1.0
  Zr  Zr6  1  0.675  0.016  0.995  1.0
  Zr  Zr7  1  0.342  0.325  0.995  1.0
  Zr  Zr8  1  0.984  0.658  0.995  1.0
  Zr  Zr9  1  0.342  0.016  0.995  1.0
  Zr  Zr10  1  0.984  0.325  0.995  1.0
  Zr  Zr11  1  0.675  0.658  0.995  1.0
  Zr  Zr12  1  0.079  0.921  0.261  1.0
  Zr  Zr13  1  0.843  0.921  0.261  1.0
  Zr  Zr14  1  0.079  0.157  0.261  1.0
  Zr  Zr15  1  0.923  0.077  0.754  1.0
  Zr  Zr16  1  0.155  0.077  0.754  1.0
  Zr  Zr17  1  0.923  0.845  0.754  1.0
  Zr  Zr18  1  0.411  0.589  0.246  1.0
  Zr  Zr19  1  0.177  0.589  0.246  1.0
  Zr  Zr20  1  0.411  0.823  0.246  1.0
  Zr  Zr21  1  0.589  0.411  0.742  1.0
  Zr  Zr22  1  0.823  0.411  0.742  1.0
  Zr  Zr23  1  0.589  0.177  0.742  1.0
  Zr  Zr24  1  0.744  0.256  0.229  1.0
  Zr  Zr25  1  0.512  0.256  0.229  1.0
  Zr  Zr26  1  0.744  0.488  0.229  1.0
  Zr  Zr27  1  0.256  0.744  0.730  1.0
  Zr  Zr28  1  0.489  0.744  0.730  1.0
  Zr  Zr29  1  0.256  0.511  0.730  1.0
  Al  Al30  1  0.867  0.133  0.277  1.0
  Al  Al31  1  0.265  0.133  0.277  1.0
  Al  Al32  1  0.867  0.735  0.277  1.0
  Al  Al33  1  0.133  0.867  0.786  1.0
  Al  Al34  1  0.735  0.867  0.786  1.0
  Al  Al35  1  0.133  0.265  0.786  1.0
  Al  Al36  1  0.201  0.799  0.198  1.0
  Al  Al37  1  0.599  0.799  0.198  1.0
  Al  Al38  1  0.201  0.401  0.198  1.0
  Al  Al39  1  0.800  0.200  0.698  1.0
  Al  Al40  1  0.401  0.200  0.698  1.0
  Al  Al41  1  0.800  0.599  0.698  1.0
  Al  Al42  1  0.534  0.466  0.253  1.0
  Al  Al43  1  0.933  0.466  0.253  1.0
  Al  Al44  1  0.534  0.067  0.253  1.0
  Al  Al45  1  0.466  0.534  0.753  1.0
  Al  Al46  1  0.068  0.534  0.753  1.0
  Al  Al47  1  0.466  0.932  0.753  1.0
  O  O48  1  0.333  0.667  0.485  1.0
  O  O49  1  0.667  0.333  0.985  1.0
  O  O50  1  0.000  0.000  0.508  1.0
[/CIF]
.
The compound described by Zr10Al6O crystallizes in the trigonal P3m1 space group. There are eight inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Al(1), one Al(2), one Al(3), one Al(4), one Al(5), and one Al(6) atom. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to one Al(1), one Al(2), one Al(3), one Al(4), one Al(5), and one Al(6) atom. In the third Zr site, Zr(3) is bonded in a distorted single-bond geometry to one Al(3), two equivalent Al(1), two equivalent Al(2), and one O(3) atom. In the fourth Zr site, Zr(4) is bonded in a distorted single-bond geometry to one Al(4), two equivalent Al(1), two equivalent Al(2), and one O(3) atom. In the fifth Zr site, Zr(5) is bonded in a distorted single-bond geometry to one Al(5), two equivalent Al(3), two equivalent Al(6), and one O(1) atom. In the sixth Zr site, Zr(6) is bonded in a distorted single-bond geometry to one Al(6), two equivalent Al(4), two equivalent Al(5), and one O(2) atom. In the seventh Zr site, Zr(7) is bonded in a distorted single-bond geometry to one Al(1), two equivalent Al(4), two equivalent Al(5), and one O(2) atom. In the eighth Zr site, Zr(8) is bonded in a distorted single-bond geometry to one Al(2), two equivalent Al(3), two equivalent Al(6), and one O(1) atom. There are six inequivalent Al sites. In the first Al site, Al(2) is bonded in a 10-coordinate geometry to one Zr(8), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), two equivalent Zr(4), and one Al(3) atom. In the second Al site, Al(3) is bonded in a 10-coordinate geometry to one Zr(3), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(5), two equivalent Zr(8), and one Al(2) atom. In the third Al site, Al(4) is bonded in a 10-coordinate geometry to one Zr(4), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(6), two equivalent Zr(7), and one Al(1) atom. In the fourth Al site, Al(5) is bonded in a 9-coordinate geometry to one Zr(5), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(6), and two equivalent Zr(7) atoms. In the fifth Al site, Al(6) is bonded in a 9-coordinate geometry to one Zr(6), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(5), and two equivalent Zr(8) atoms. In the sixth Al site, Al(1) is bonded in a 10-coordinate geometry to one Zr(7), two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), two equivalent Zr(4), and one Al(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in an octahedral geometry to three equivalent Zr(5) and three equivalent Zr(8) atoms. In the second O site, O(2) is bonded in an octahedral geometry to three equivalent Zr(6) and three equivalent Zr(7) atoms. In the third O site, O(3) is bonded in an octahedral geometry to three equivalent Zr(3) and three equivalent Zr(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr10Al6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.272
_cell_length_b   14.272
_cell_length_c   5.646
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   995.955
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.323  0.984  0.495  1.0
  Zr  Zr1  1  0.661  0.677  0.495  1.0
  Zr  Zr2  1  0.016  0.339  0.495  1.0
  Zr  Zr3  1  0.661  0.984  0.495  1.0
  Zr  Zr4  1  0.016  0.677  0.495  1.0
  Zr  Zr5  1  0.323  0.339  0.495  1.0
  Zr  Zr6  1  0.675  0.016  0.995  1.0
  Zr  Zr7  1  0.342  0.325  0.995  1.0
  Zr  Zr8  1  0.984  0.658  0.995  1.0
  Zr  Zr9  1  0.342  0.016  0.995  1.0
  Zr  Zr10  1  0.984  0.325  0.995  1.0
  Zr  Zr11  1  0.675  0.658  0.995  1.0
  Zr  Zr12  1  0.079  0.921  0.261  1.0
  Zr  Zr13  1  0.843  0.921  0.261  1.0
  Zr  Zr14  1  0.079  0.157  0.261  1.0
  Zr  Zr15  1  0.923  0.077  0.754  1.0
  Zr  Zr16  1  0.155  0.077  0.754  1.0
  Zr  Zr17  1  0.923  0.845  0.754  1.0
  Zr  Zr18  1  0.411  0.589  0.246  1.0
  Zr  Zr19  1  0.177  0.589  0.246  1.0
  Zr  Zr20  1  0.411  0.823  0.246  1.0
  Zr  Zr21  1  0.589  0.411  0.742  1.0
  Zr  Zr22  1  0.823  0.411  0.742  1.0
  Zr  Zr23  1  0.589  0.177  0.742  1.0
  Zr  Zr24  1  0.744  0.256  0.229  1.0
  Zr  Zr25  1  0.512  0.256  0.229  1.0
  Zr  Zr26  1  0.744  0.488  0.229  1.0
  Zr  Zr27  1  0.256  0.744  0.730  1.0
  Zr  Zr28  1  0.489  0.744  0.730  1.0
  Zr  Zr29  1  0.256  0.511  0.730  1.0
  Al  Al30  1  0.867  0.133  0.277  1.0
  Al  Al31  1  0.265  0.133  0.277  1.0
  Al  Al32  1  0.867  0.735  0.277  1.0
  Al  Al33  1  0.133  0.867  0.786  1.0
  Al  Al34  1  0.735  0.867  0.786  1.0
  Al  Al35  1  0.133  0.265  0.786  1.0
  Al  Al36  1  0.201  0.799  0.198  1.0
  Al  Al37  1  0.599  0.799  0.198  1.0
  Al  Al38  1  0.201  0.401  0.198  1.0
  Al  Al39  1  0.800  0.200  0.698  1.0
  Al  Al40  1  0.401  0.200  0.698  1.0
  Al  Al41  1  0.800  0.599  0.698  1.0
  Al  Al42  1  0.534  0.466  0.253  1.0
  Al  Al43  1  0.933  0.466  0.253  1.0
  Al  Al44  1  0.534  0.067  0.253  1.0
  Al  Al45  1  0.466  0.534  0.753  1.0
  Al  Al46  1  0.068  0.534  0.753  1.0
  Al  Al47  1  0.466  0.932  0.753  1.0
  O  O48  1  0.333  0.667  0.485  1.0
  O  O49  1  0.667  0.333  0.985  1.0
  O  O50  1  0.000  0.000  0.508  1.0
[/CIF]
.