The crystal structure described by DyZr4O9 crystallizes in the orthorhombic Imm2 space group. Dy(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to one O(1), one O(4), three equivalent O(2), and three equivalent O(3) atoms. In the second Zr site, Zr(2) is bonded to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing ZrO7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Dy(1), one Zr(1), and two equivalent Zr(2) atoms to form ODyZr3 tetrahedra that share  a cornercorner with one O(2)Zr4 tetrahedra, corners with three equivalent O(1)DyZr3 tetrahedra, corners with three equivalent O(4)DyZr3 tetrahedra, corners with five equivalent O(3)Zr4 tetrahedra, corners with four equivalent O(5)Dy2Zr2 trigonal pyramids, edges with two equivalent O(4)DyZr3 tetrahedra, and edges with two equivalent O(2)Zr4 tetrahedra. In the second O site, O(2) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form OZr4 tetrahedra that share  a cornercorner with one O(1)DyZr3 tetrahedra, corners with two equivalent O(3)Zr4 tetrahedra, corners with five equivalent O(4)DyZr3 tetrahedra, corners with six equivalent O(2)Zr4 tetrahedra,  a cornercorner with one O(5)Dy2Zr2 trigonal pyramid, edges with two equivalent O(1)DyZr3 tetrahedra, and edges with four equivalent O(3)Zr4 tetrahedra. In the third O site, O(3) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form OZr4 tetrahedra that share  a cornercorner with one O(4)DyZr3 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with five equivalent O(1)DyZr3 tetrahedra, corners with six equivalent O(3)Zr4 tetrahedra,  a cornercorner with one O(5)Dy2Zr2 trigonal pyramid, edges with two equivalent O(4)DyZr3 tetrahedra, and edges with four equivalent O(2)Zr4 tetrahedra. In the fourth O site, O(4) is bonded to one Dy(1), one Zr(1), and two equivalent Zr(2) atoms to form ODyZr3 tetrahedra that share  a cornercorner with one O(3)Zr4 tetrahedra, corners with three equivalent O(1)DyZr3 tetrahedra, corners with three equivalent O(4)DyZr3 tetrahedra, corners with five equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(1)DyZr3 tetrahedra, edges with two equivalent O(3)Zr4 tetrahedra, and edges with two equivalent O(5)Dy2Zr2 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Dy(1) and two equivalent Zr(2) atoms to form distorted ODy2Zr2 trigonal pyramids that share corners with two equivalent O(2)Zr4 tetrahedra, corners with two equivalent O(3)Zr4 tetrahedra, corners with eight equivalent O(1)DyZr3 tetrahedra, corners with two equivalent O(5)Dy2Zr2 trigonal pyramids, and edges with four equivalent O(4)DyZr3 tetrahedra. is represented by the CIF card [CIF]
data_DyZr4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.868
_cell_length_b   9.868
_cell_length_c   9.868
_cell_angle_alpha   159.228
_cell_angle_beta   149.272
_cell_angle_gamma   37.383
_symmetry_Int_Tables_number   1
_cell_volume   173.929
_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
  Dy  Dy0  1  0.981  0.000  0.981  1.0
  Zr  Zr1  1  0.209  0.197  0.012  1.0
  Zr  Zr2  1  0.408  0.392  0.016  1.0
  Zr  Zr3  1  0.815  0.803  0.012  1.0
  Zr  Zr4  1  0.623  0.608  0.016  1.0
  O  O5  1  0.168  0.906  0.262  1.0
  O  O6  1  0.060  0.300  0.760  1.0
  O  O7  1  0.557  0.297  0.259  1.0
  O  O8  1  0.356  0.094  0.262  1.0
  O  O9  1  0.460  0.700  0.760  1.0
  O  O10  1  0.658  0.894  0.764  1.0
  O  O11  1  0.623  0.500  0.123  1.0
  O  O12  1  0.962  0.703  0.259  1.0
  O  O13  1  0.870  0.106  0.764  1.0
[/CIF]
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The crystal structure described by DyZr4O9 crystallizes in the orthorhombic Imm2 space group. Dy(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to one O(1), one O(4), three equivalent O(2), and three equivalent O(3) atoms. In the second Zr site, Zr(2) is bonded to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing ZrO7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Dy(1), one Zr(1), and two equivalent Zr(2) atoms to form ODyZr3 tetrahedra that share  a cornercorner with one O(2)Zr4 tetrahedra, corners with three equivalent O(1)DyZr3 tetrahedra, corners with three equivalent O(4)DyZr3 tetrahedra, corners with five equivalent O(3)Zr4 tetrahedra, corners with four equivalent O(5)Dy2Zr2 trigonal pyramids, edges with two equivalent O(4)DyZr3 tetrahedra, and edges with two equivalent O(2)Zr4 tetrahedra. In the second O site, O(2) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form OZr4 tetrahedra that share  a cornercorner with one O(1)DyZr3 tetrahedra, corners with two equivalent O(3)Zr4 tetrahedra, corners with five equivalent O(4)DyZr3 tetrahedra, corners with six equivalent O(2)Zr4 tetrahedra,  a cornercorner with one O(5)Dy2Zr2 trigonal pyramid, edges with two equivalent O(1)DyZr3 tetrahedra, and edges with four equivalent O(3)Zr4 tetrahedra. In the third O site, O(3) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form OZr4 tetrahedra that share  a cornercorner with one O(4)DyZr3 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with five equivalent O(1)DyZr3 tetrahedra, corners with six equivalent O(3)Zr4 tetrahedra,  a cornercorner with one O(5)Dy2Zr2 trigonal pyramid, edges with two equivalent O(4)DyZr3 tetrahedra, and edges with four equivalent O(2)Zr4 tetrahedra. In the fourth O site, O(4) is bonded to one Dy(1), one Zr(1), and two equivalent Zr(2) atoms to form ODyZr3 tetrahedra that share  a cornercorner with one O(3)Zr4 tetrahedra, corners with three equivalent O(1)DyZr3 tetrahedra, corners with three equivalent O(4)DyZr3 tetrahedra, corners with five equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(1)DyZr3 tetrahedra, edges with two equivalent O(3)Zr4 tetrahedra, and edges with two equivalent O(5)Dy2Zr2 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Dy(1) and two equivalent Zr(2) atoms to form distorted ODy2Zr2 trigonal pyramids that share corners with two equivalent O(2)Zr4 tetrahedra, corners with two equivalent O(3)Zr4 tetrahedra, corners with eight equivalent O(1)DyZr3 tetrahedra, corners with two equivalent O(5)Dy2Zr2 trigonal pyramids, and edges with four equivalent O(4)DyZr3 tetrahedra. is represented by the CIF card [CIF]
data_DyZr4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.868
_cell_length_b   9.868
_cell_length_c   9.868
_cell_angle_alpha   159.228
_cell_angle_beta   149.272
_cell_angle_gamma   37.383
_symmetry_Int_Tables_number   1
_cell_volume   173.929
_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
  Dy  Dy0  1  0.981  0.000  0.981  1.0
  Zr  Zr1  1  0.209  0.197  0.012  1.0
  Zr  Zr2  1  0.408  0.392  0.016  1.0
  Zr  Zr3  1  0.815  0.803  0.012  1.0
  Zr  Zr4  1  0.623  0.608  0.016  1.0
  O  O5  1  0.168  0.906  0.262  1.0
  O  O6  1  0.060  0.300  0.760  1.0
  O  O7  1  0.557  0.297  0.259  1.0
  O  O8  1  0.356  0.094  0.262  1.0
  O  O9  1  0.460  0.700  0.760  1.0
  O  O10  1  0.658  0.894  0.764  1.0
  O  O11  1  0.623  0.500  0.123  1.0
  O  O12  1  0.962  0.703  0.259  1.0
  O  O13  1  0.870  0.106  0.764  1.0
[/CIF]
.