The structure described by Nd2Zr8O19 is alpha bismuth trifluoride-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(11), and two equivalent O(9) atoms. In the second Nd site, Nd(2) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(13) atoms to form a mixture of distorted corner and edge-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are eight inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(12), two equivalent O(13), and two equivalent O(14) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent O(15), two equivalent O(16), two equivalent O(2), and two equivalent O(3) atoms. In the third Zr site, Zr(3) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(14), two equivalent O(15), and two equivalent O(2) atoms. In the fourth Zr site, Zr(4) is bonded in a body-centered cubic geometry to two equivalent O(16), two equivalent O(17), two equivalent O(3), and two equivalent O(4) atoms. In the fifth Zr site, Zr(5) is bonded in a body-centered cubic geometry to two equivalent O(18), two equivalent O(19), two equivalent O(5), and two equivalent O(6) atoms. In the sixth Zr site, Zr(6) is bonded in a body-centered cubic geometry to two equivalent O(17), two equivalent O(18), two equivalent O(4), and two equivalent O(5) atoms. In the seventh Zr site, Zr(7) is bonded in a body-centered cubic geometry to two equivalent O(19), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the eighth Zr site, Zr(8) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form OZr4 tetrahedra that share corners with two equivalent O(13)Nd2Zr2 tetrahedra, corners with two equivalent O(15)Zr4 tetrahedra, corners with four equivalent O(12)Nd2Zr2 tetrahedra, corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra,  an edgeedge with one O(13)Nd2Zr2 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and edges with four equivalent O(14)Zr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(2) and two equivalent Zr(3) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Zr(4) 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(5) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(5) and two equivalent Zr(7) 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(7) and two equivalent Zr(8) atoms to form OZr4 tetrahedra that share corners with two equivalent O(10)Nd2Zr2 tetrahedra, corners with two equivalent O(19)Zr4 tetrahedra, corners with four equivalent O(9)Nd2Zr2 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(7)Zr4 tetrahedra,  an edgeedge with one O(10)Nd2Zr2 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra, and edges with four equivalent O(8)Zr4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Zr(7) and two equivalent Zr(8) atoms to form OZr4 tetrahedra that share corners with two equivalent O(9)Nd2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(10)Nd2Zr2 tetrahedra, corners with four equivalent O(19)Zr4 tetrahedra, corners with four equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(9)Nd2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(7)Zr4 tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Nd(1) and two equivalent Zr(8) atoms to form ONd2Zr2 tetrahedra that share corners with two equivalent O(11)Nd4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra, corners with four equivalent O(9)Nd2Zr2 tetrahedra, corners with four equivalent O(7)Zr4 tetrahedra,  an edgeedge with one O(11)Nd4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and edges with four equivalent O(10)Nd2Zr2 tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Nd(1) and two equivalent Zr(8) atoms to form ONd2Zr2 tetrahedra that share corners with two equivalent O(7)Zr4 tetrahedra, corners with four equivalent O(10)Nd2Zr2 tetrahedra, corners with four equivalent O(11)Nd4 tetrahedra, corners with four equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and edges with four equivalent O(9)Nd2Zr2 tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(12)Nd2Zr2 tetrahedra, corners with two equivalent O(9)Nd2Zr2 tetrahedra, corners with four equivalent O(10)Nd2Zr2 tetrahedra, corners with four equivalent O(13)Nd2Zr2 tetrahedra, corners with four equivalent O(11)Nd4 tetrahedra,  an edgeedge with one O(12)Nd2Zr2 tetrahedra, and  an edgeedge with one O(9)Nd2Zr2 tetrahedra. In the twelfth O site, O(12) is bonded to two equivalent Nd(2) and two equivalent Zr(1) atoms to form ONd2Zr2 tetrahedra that share corners with two equivalent O(11)Nd4 tetrahedra, corners with two equivalent O(14)Zr4 tetrahedra, corners with four equivalent O(12)Nd2Zr2 tetrahedra, corners with four equivalent O(1)Zr4 tetrahedra,  an edgeedge with one O(11)Nd4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra, and edges with four equivalent O(13)Nd2Zr2 tetrahedra. In the thirteenth O site, O(13) is bonded to two equivalent Nd(2) and two equivalent Zr(1) atoms to form ONd2Zr2 tetrahedra that share corners with two equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(13)Nd2Zr2 tetrahedra, corners with four equivalent O(11)Nd4 tetrahedra, corners with four equivalent O(14)Zr4 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and edges with four equivalent O(12)Nd2Zr2 tetrahedra. In the fourteenth O site, O(14) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form OZr4 tetrahedra that share corners with two equivalent O(12)Nd2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(13)Nd2Zr2 tetrahedra, corners with four equivalent O(14)Zr4 tetrahedra, corners with four equivalent O(15)Zr4 tetrahedra,  an edgeedge with one O(12)Nd2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(1)Zr4 tetrahedra. In the fifteenth O site, O(15) is bonded to two equivalent Zr(2) and two equivalent Zr(3) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the sixteenth O site, O(16) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the seventeenth O site, O(17) is bonded to two equivalent Zr(4) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the eighteenth O site, O(18) is bonded to two equivalent Zr(5) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the nineteenth O site, O(19) is bonded to two equivalent Zr(5) and two equivalent Zr(7) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. is represented by the CIF card [CIF]
data_Nd2Zr8O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.585
_cell_length_b   3.718
_cell_length_c   26.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.066
_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
  Nd  Nd0  1  0.000  0.500  0.992  1.0
  Nd  Nd1  1  0.500  0.000  0.113  1.0
  Zr  Zr2  1  0.000  0.500  0.212  1.0
  Zr  Zr3  1  0.000  0.500  0.407  1.0
  Zr  Zr4  1  0.500  0.000  0.309  1.0
  Zr  Zr5  1  0.500  0.000  0.504  1.0
  Zr  Zr6  1  0.500  0.000  0.698  1.0
  Zr  Zr7  1  0.000  0.500  0.601  1.0
  Zr  Zr8  1  0.000  0.500  0.795  1.0
  Zr  Zr9  1  0.500  0.000  0.893  1.0
  O  O10  1  0.500  0.500  0.255  1.0
  O  O11  1  0.000  0.000  0.358  1.0
  O  O12  1  0.500  0.500  0.452  1.0
  O  O13  1  0.000  0.000  0.550  1.0
  O  O14  1  0.500  0.500  0.649  1.0
  O  O15  1  0.000  0.000  0.742  1.0
  O  O16  1  0.500  0.500  0.845  1.0
  O  O17  1  0.000  0.000  0.838  1.0
  O  O18  1  0.000  0.000  0.936  1.0
  O  O19  1  0.500  0.500  0.941  1.0
  O  O20  1  0.000  0.000  0.043  1.0
  O  O21  1  0.000  0.000  0.167  1.0
  O  O22  1  0.500  0.500  0.154  1.0
  O  O23  1  0.000  0.000  0.261  1.0
  O  O24  1  0.500  0.500  0.352  1.0
  O  O25  1  0.000  0.000  0.452  1.0
  O  O26  1  0.500  0.500  0.549  1.0
  O  O27  1  0.000  0.000  0.644  1.0
  O  O28  1  0.500  0.500  0.745  1.0
[/CIF]
.
The structure described by Nd2Zr8O19 is alpha bismuth trifluoride-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(11), and two equivalent O(9) atoms. In the second Nd site, Nd(2) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(13) atoms to form a mixture of distorted corner and edge-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are eight inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(12), two equivalent O(13), and two equivalent O(14) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent O(15), two equivalent O(16), two equivalent O(2), and two equivalent O(3) atoms. In the third Zr site, Zr(3) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(14), two equivalent O(15), and two equivalent O(2) atoms. In the fourth Zr site, Zr(4) is bonded in a body-centered cubic geometry to two equivalent O(16), two equivalent O(17), two equivalent O(3), and two equivalent O(4) atoms. In the fifth Zr site, Zr(5) is bonded in a body-centered cubic geometry to two equivalent O(18), two equivalent O(19), two equivalent O(5), and two equivalent O(6) atoms. In the sixth Zr site, Zr(6) is bonded in a body-centered cubic geometry to two equivalent O(17), two equivalent O(18), two equivalent O(4), and two equivalent O(5) atoms. In the seventh Zr site, Zr(7) is bonded in a body-centered cubic geometry to two equivalent O(19), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the eighth Zr site, Zr(8) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form OZr4 tetrahedra that share corners with two equivalent O(13)Nd2Zr2 tetrahedra, corners with two equivalent O(15)Zr4 tetrahedra, corners with four equivalent O(12)Nd2Zr2 tetrahedra, corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra,  an edgeedge with one O(13)Nd2Zr2 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and edges with four equivalent O(14)Zr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(2) and two equivalent Zr(3) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Zr(4) 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(5) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(5) and two equivalent Zr(7) 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(7) and two equivalent Zr(8) atoms to form OZr4 tetrahedra that share corners with two equivalent O(10)Nd2Zr2 tetrahedra, corners with two equivalent O(19)Zr4 tetrahedra, corners with four equivalent O(9)Nd2Zr2 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(7)Zr4 tetrahedra,  an edgeedge with one O(10)Nd2Zr2 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra, and edges with four equivalent O(8)Zr4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Zr(7) and two equivalent Zr(8) atoms to form OZr4 tetrahedra that share corners with two equivalent O(9)Nd2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(10)Nd2Zr2 tetrahedra, corners with four equivalent O(19)Zr4 tetrahedra, corners with four equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(9)Nd2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(7)Zr4 tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Nd(1) and two equivalent Zr(8) atoms to form ONd2Zr2 tetrahedra that share corners with two equivalent O(11)Nd4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra, corners with four equivalent O(9)Nd2Zr2 tetrahedra, corners with four equivalent O(7)Zr4 tetrahedra,  an edgeedge with one O(11)Nd4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and edges with four equivalent O(10)Nd2Zr2 tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Nd(1) and two equivalent Zr(8) atoms to form ONd2Zr2 tetrahedra that share corners with two equivalent O(7)Zr4 tetrahedra, corners with four equivalent O(10)Nd2Zr2 tetrahedra, corners with four equivalent O(11)Nd4 tetrahedra, corners with four equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and edges with four equivalent O(9)Nd2Zr2 tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(12)Nd2Zr2 tetrahedra, corners with two equivalent O(9)Nd2Zr2 tetrahedra, corners with four equivalent O(10)Nd2Zr2 tetrahedra, corners with four equivalent O(13)Nd2Zr2 tetrahedra, corners with four equivalent O(11)Nd4 tetrahedra,  an edgeedge with one O(12)Nd2Zr2 tetrahedra, and  an edgeedge with one O(9)Nd2Zr2 tetrahedra. In the twelfth O site, O(12) is bonded to two equivalent Nd(2) and two equivalent Zr(1) atoms to form ONd2Zr2 tetrahedra that share corners with two equivalent O(11)Nd4 tetrahedra, corners with two equivalent O(14)Zr4 tetrahedra, corners with four equivalent O(12)Nd2Zr2 tetrahedra, corners with four equivalent O(1)Zr4 tetrahedra,  an edgeedge with one O(11)Nd4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra, and edges with four equivalent O(13)Nd2Zr2 tetrahedra. In the thirteenth O site, O(13) is bonded to two equivalent Nd(2) and two equivalent Zr(1) atoms to form ONd2Zr2 tetrahedra that share corners with two equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(13)Nd2Zr2 tetrahedra, corners with four equivalent O(11)Nd4 tetrahedra, corners with four equivalent O(14)Zr4 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and edges with four equivalent O(12)Nd2Zr2 tetrahedra. In the fourteenth O site, O(14) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form OZr4 tetrahedra that share corners with two equivalent O(12)Nd2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(13)Nd2Zr2 tetrahedra, corners with four equivalent O(14)Zr4 tetrahedra, corners with four equivalent O(15)Zr4 tetrahedra,  an edgeedge with one O(12)Nd2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(1)Zr4 tetrahedra. In the fifteenth O site, O(15) is bonded to two equivalent Zr(2) and two equivalent Zr(3) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the sixteenth O site, O(16) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the seventeenth O site, O(17) is bonded to two equivalent Zr(4) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the eighteenth O site, O(18) is bonded to two equivalent Zr(5) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the nineteenth O site, O(19) is bonded to two equivalent Zr(5) and two equivalent Zr(7) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. is represented by the CIF card [CIF]
data_Nd2Zr8O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.585
_cell_length_b   3.718
_cell_length_c   26.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.066
_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
  Nd  Nd0  1  0.000  0.500  0.992  1.0
  Nd  Nd1  1  0.500  0.000  0.113  1.0
  Zr  Zr2  1  0.000  0.500  0.212  1.0
  Zr  Zr3  1  0.000  0.500  0.407  1.0
  Zr  Zr4  1  0.500  0.000  0.309  1.0
  Zr  Zr5  1  0.500  0.000  0.504  1.0
  Zr  Zr6  1  0.500  0.000  0.698  1.0
  Zr  Zr7  1  0.000  0.500  0.601  1.0
  Zr  Zr8  1  0.000  0.500  0.795  1.0
  Zr  Zr9  1  0.500  0.000  0.893  1.0
  O  O10  1  0.500  0.500  0.255  1.0
  O  O11  1  0.000  0.000  0.358  1.0
  O  O12  1  0.500  0.500  0.452  1.0
  O  O13  1  0.000  0.000  0.550  1.0
  O  O14  1  0.500  0.500  0.649  1.0
  O  O15  1  0.000  0.000  0.742  1.0
  O  O16  1  0.500  0.500  0.845  1.0
  O  O17  1  0.000  0.000  0.838  1.0
  O  O18  1  0.000  0.000  0.936  1.0
  O  O19  1  0.500  0.500  0.941  1.0
  O  O20  1  0.000  0.000  0.043  1.0
  O  O21  1  0.000  0.000  0.167  1.0
  O  O22  1  0.500  0.500  0.154  1.0
  O  O23  1  0.000  0.000  0.261  1.0
  O  O24  1  0.500  0.500  0.352  1.0
  O  O25  1  0.000  0.000  0.452  1.0
  O  O26  1  0.500  0.500  0.549  1.0
  O  O27  1  0.000  0.000  0.644  1.0
  O  O28  1  0.500  0.500  0.745  1.0
[/CIF]
.