The material described by Zr6O11 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to two equivalent O(11), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the fourth Zr site, Zr(4) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the fifth Zr site, Zr(5) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the sixth Zr site, Zr(6) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(4), and two equivalent O(7) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(3) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Zr(3) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(3) and two equivalent Zr(5) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Zr(1) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Zr(1) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Zr(3) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.634
_cell_length_b   3.637
_cell_length_c   15.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.537
_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
  Zr  Zr0  1  0.000  0.500  0.076  1.0
  Zr  Zr1  1  0.000  0.500  0.411  1.0
  Zr  Zr2  1  0.000  0.500  0.745  1.0
  Zr  Zr3  1  0.500  0.000  0.243  1.0
  Zr  Zr4  1  0.500  0.000  0.579  1.0
  Zr  Zr5  1  0.500  0.000  0.911  1.0
  O  O6  1  0.000  0.000  0.138  1.0
  O  O7  1  0.000  0.000  0.645  1.0
  O  O8  1  0.000  0.000  0.477  1.0
  O  O9  1  0.000  0.000  0.812  1.0
  O  O10  1  0.000  0.000  0.308  1.0
  O  O11  1  0.500  0.500  0.678  1.0
  O  O12  1  0.500  0.500  0.009  1.0
  O  O13  1  0.500  0.500  0.177  1.0
  O  O14  1  0.500  0.500  0.345  1.0
  O  O15  1  0.500  0.500  0.511  1.0
  O  O16  1  0.500  0.500  0.845  1.0
[/CIF]
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The material described by Zr6O11 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to two equivalent O(11), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the fourth Zr site, Zr(4) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the fifth Zr site, Zr(5) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the sixth Zr site, Zr(6) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(4), and two equivalent O(7) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(3) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Zr(3) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(3) and two equivalent Zr(5) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Zr(1) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Zr(1) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Zr(3) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.634
_cell_length_b   3.637
_cell_length_c   15.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.537
_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
  Zr  Zr0  1  0.000  0.500  0.076  1.0
  Zr  Zr1  1  0.000  0.500  0.411  1.0
  Zr  Zr2  1  0.000  0.500  0.745  1.0
  Zr  Zr3  1  0.500  0.000  0.243  1.0
  Zr  Zr4  1  0.500  0.000  0.579  1.0
  Zr  Zr5  1  0.500  0.000  0.911  1.0
  O  O6  1  0.000  0.000  0.138  1.0
  O  O7  1  0.000  0.000  0.645  1.0
  O  O8  1  0.000  0.000  0.477  1.0
  O  O9  1  0.000  0.000  0.812  1.0
  O  O10  1  0.000  0.000  0.308  1.0
  O  O11  1  0.500  0.500  0.678  1.0
  O  O12  1  0.500  0.500  0.009  1.0
  O  O13  1  0.500  0.500  0.177  1.0
  O  O14  1  0.500  0.500  0.345  1.0
  O  O15  1  0.500  0.500  0.511  1.0
  O  O16  1  0.500  0.500  0.845  1.0
[/CIF]
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