The material structure described by Sr4Sm3CeNb2(CuO5)4 crystallizes in the tetragonal P4mm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(3), four equivalent O(8), and four equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Nb(2)O6 octahedra, and faces with four equivalent Cu(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to four equivalent O(10), four equivalent O(4), and four equivalent O(7) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(11), four equivalent O(5), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Cu(3)O5 square pyramids. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to four equivalent O(12), four equivalent O(6), and four equivalent O(8) atoms. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(5) atoms. In the third Sm site, Sm(3) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(6) atoms. Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(11), and four equivalent O(7) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the second Nb site, Nb(2) is bonded to one O(12), one O(9), and four equivalent O(8) atoms to form NbO6 octahedra that share corners with four equivalent Nb(2)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(4)O5 square pyramid, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(9) and four equivalent O(3) atoms to form CuO5 square pyramids that share  a cornercorner with one Nb(2)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(10) and four equivalent O(4) atoms to form CuO5 square pyramids that share  a cornercorner with one Nb(1)O6 octahedra and corners with four equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the third Cu site, Cu(3) is bonded to one O(11) and four equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Cu(3)O5 square pyramids, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the fourth Cu site, Cu(4) is bonded to one O(12) and four equivalent O(6) atoms to form CuO5 square pyramids that share  a cornercorner with one Nb(2)O6 octahedra and corners with four equivalent Cu(4)O5 square pyramids. The corner-sharing octahedra are not tilted. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(2) and two equivalent Ce(1) atoms to form OCe2Sm2 tetrahedra that share corners with six equivalent O(3)Sr2Ce2Cu2 octahedra, corners with six equivalent O(5)Sr2Sm2Cu2 octahedra, corners with four equivalent O(1)Ce2Sm2 tetrahedra,  an edgeedge with one O(3)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(5)Sr2Sm2Cu2 octahedra, and edges with four equivalent O(1)Ce2Sm2 tetrahedra. The corner-sharing octahedral tilt angles range from 5-71°. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Sm(3) atoms to form OSm4 tetrahedra that share corners with six equivalent O(4)Sr2Sm2Cu2 octahedra, corners with six equivalent O(6)Sr2Sm2Cu2 octahedra, corners with four equivalent O(2)Sm4 tetrahedra,  an edgeedge with one O(4)Sr2Sm2Cu2 octahedra,  an edgeedge with one O(6)Sr2Sm2Cu2 octahedra, and edges with four equivalent O(2)Sm4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Ce(1), and two equivalent Cu(1) atoms to form distorted OSr2Ce2Cu2 octahedra that share corners with two equivalent O(3)Sr2Ce2Cu2 octahedra, corners with four equivalent O(9)Sr4NbCu octahedra, corners with six equivalent O(1)Ce2Sm2 tetrahedra, edges with two equivalent O(3)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(1)Ce2Sm2 tetrahedra, faces with two equivalent O(9)Sr4NbCu octahedra, and faces with four equivalent O(3)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 14-57°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form distorted OSr2Sm2Cu2 octahedra that share corners with two equivalent O(4)Sr2Sm2Cu2 octahedra, corners with six equivalent O(2)Sm4 tetrahedra, edges with two equivalent O(4)Sr2Sm2Cu2 octahedra,  an edgeedge with one O(2)Sm4 tetrahedra, and faces with four equivalent O(4)Sr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fifth O site, O(5) is bonded to two equivalent Sr(3), two equivalent Sm(2), and two equivalent Cu(3) atoms to form distorted OSr2Sm2Cu2 octahedra that share corners with two equivalent O(5)Sr2Sm2Cu2 octahedra, corners with four equivalent O(11)Sr4NbCu octahedra, corners with six equivalent O(1)Ce2Sm2 tetrahedra, edges with two equivalent O(5)Sr2Sm2Cu2 octahedra,  an edgeedge with one O(1)Ce2Sm2 tetrahedra, faces with two equivalent O(11)Sr4NbCu octahedra, and faces with four equivalent O(5)Sr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the sixth O site, O(6) is bonded to two equivalent Sr(4), two equivalent Sm(3), and two equivalent Cu(4) atoms to form distorted OSr2Sm2Cu2 octahedra that share corners with two equivalent O(6)Sr2Sm2Cu2 octahedra, corners with six equivalent O(2)Sm4 tetrahedra, edges with two equivalent O(6)Sr2Sm2Cu2 octahedra,  an edgeedge with one O(2)Sm4 tetrahedra, and faces with four equivalent O(6)Sr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the seventh O site, O(7) is bonded in a linear geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Nb(1) atoms. In the eighth O site, O(8) is bonded in a linear geometry to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Nb(2) atoms. In the ninth O site, O(9) is bonded to four equivalent Sr(1), one Nb(2), and one Cu(1) atom to form distorted OSr4NbCu octahedra that share corners with four equivalent O(9)Sr4NbCu octahedra, corners with eight equivalent O(3)Sr2Ce2Cu2 octahedra, edges with four equivalent O(9)Sr4NbCu octahedra, and faces with four equivalent O(3)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-57°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to four equivalent Sr(2), one Nb(1), and one Cu(2) atom. In the eleventh O site, O(11) is bonded to four equivalent Sr(3), one Nb(1), and one Cu(3) atom to form distorted OSr4NbCu octahedra that share corners with four equivalent O(11)Sr4NbCu octahedra, corners with eight equivalent O(5)Sr2Sm2Cu2 octahedra, edges with four equivalent O(11)Sr4NbCu octahedra, and faces with four equivalent O(5)Sr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to four equivalent Sr(4), one Nb(2), and one Cu(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4CeSm3Nb2(CuO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   3.939
_cell_length_c   29.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.192
_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
  Sr  Sr0  1  0.000  0.000  0.422  1.0
  Sr  Sr1  1  0.500  0.500  0.916  1.0
  Sr  Sr2  1  0.500  0.500  0.080  1.0
  Sr  Sr3  1  0.000  0.000  0.585  1.0
  Ce  Ce4  1  0.000  0.000  0.294  1.0
  Sm  Sm5  1  0.500  0.500  0.792  1.0
  Sm  Sm6  1  0.500  0.500  0.206  1.0
  Sm  Sm7  1  0.000  0.000  0.709  1.0
  Nb  Nb8  1  0.000  0.000  1.000  1.0
  Nb  Nb9  1  0.500  0.500  0.500  1.0
  Cu  Cu10  1  0.500  0.500  0.356  1.0
  Cu  Cu11  1  0.000  0.000  0.857  1.0
  Cu  Cu12  1  0.000  0.000  0.143  1.0
  Cu  Cu13  1  0.500  0.500  0.644  1.0
  O  O14  1  0.000  0.500  0.252  1.0
  O  O15  1  0.500  0.000  0.750  1.0
  O  O16  1  0.500  0.000  0.252  1.0
  O  O17  1  0.000  0.500  0.750  1.0
  O  O18  1  0.000  0.500  0.348  1.0
  O  O19  1  0.500  0.000  0.854  1.0
  O  O20  1  0.500  0.000  0.348  1.0
  O  O21  1  0.000  0.500  0.854  1.0
  O  O22  1  0.500  0.000  0.151  1.0
  O  O23  1  0.000  0.500  0.646  1.0
  O  O24  1  0.000  0.500  0.151  1.0
  O  O25  1  0.500  0.000  0.646  1.0
  O  O26  1  0.500  0.000  0.001  1.0
  O  O27  1  0.000  0.500  0.498  1.0
  O  O28  1  0.500  0.000  0.498  1.0
  O  O29  1  0.000  0.500  0.001  1.0
  O  O30  1  0.500  0.500  0.430  1.0
  O  O31  1  0.000  0.000  0.932  1.0
  O  O32  1  0.000  0.000  0.069  1.0
  O  O33  1  0.500  0.500  0.568  1.0
[/CIF]
.
The material structure described by Sr4Sm3CeNb2(CuO5)4 crystallizes in the tetragonal P4mm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(3), four equivalent O(8), and four equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Nb(2)O6 octahedra, and faces with four equivalent Cu(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to four equivalent O(10), four equivalent O(4), and four equivalent O(7) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(11), four equivalent O(5), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Cu(3)O5 square pyramids. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to four equivalent O(12), four equivalent O(6), and four equivalent O(8) atoms. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(5) atoms. In the third Sm site, Sm(3) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(6) atoms. Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(11), and four equivalent O(7) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the second Nb site, Nb(2) is bonded to one O(12), one O(9), and four equivalent O(8) atoms to form NbO6 octahedra that share corners with four equivalent Nb(2)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(4)O5 square pyramid, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(9) and four equivalent O(3) atoms to form CuO5 square pyramids that share  a cornercorner with one Nb(2)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(10) and four equivalent O(4) atoms to form CuO5 square pyramids that share  a cornercorner with one Nb(1)O6 octahedra and corners with four equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the third Cu site, Cu(3) is bonded to one O(11) and four equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Cu(3)O5 square pyramids, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the fourth Cu site, Cu(4) is bonded to one O(12) and four equivalent O(6) atoms to form CuO5 square pyramids that share  a cornercorner with one Nb(2)O6 octahedra and corners with four equivalent Cu(4)O5 square pyramids. The corner-sharing octahedra are not tilted. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(2) and two equivalent Ce(1) atoms to form OCe2Sm2 tetrahedra that share corners with six equivalent O(3)Sr2Ce2Cu2 octahedra, corners with six equivalent O(5)Sr2Sm2Cu2 octahedra, corners with four equivalent O(1)Ce2Sm2 tetrahedra,  an edgeedge with one O(3)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(5)Sr2Sm2Cu2 octahedra, and edges with four equivalent O(1)Ce2Sm2 tetrahedra. The corner-sharing octahedral tilt angles range from 5-71°. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Sm(3) atoms to form OSm4 tetrahedra that share corners with six equivalent O(4)Sr2Sm2Cu2 octahedra, corners with six equivalent O(6)Sr2Sm2Cu2 octahedra, corners with four equivalent O(2)Sm4 tetrahedra,  an edgeedge with one O(4)Sr2Sm2Cu2 octahedra,  an edgeedge with one O(6)Sr2Sm2Cu2 octahedra, and edges with four equivalent O(2)Sm4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Ce(1), and two equivalent Cu(1) atoms to form distorted OSr2Ce2Cu2 octahedra that share corners with two equivalent O(3)Sr2Ce2Cu2 octahedra, corners with four equivalent O(9)Sr4NbCu octahedra, corners with six equivalent O(1)Ce2Sm2 tetrahedra, edges with two equivalent O(3)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(1)Ce2Sm2 tetrahedra, faces with two equivalent O(9)Sr4NbCu octahedra, and faces with four equivalent O(3)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 14-57°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form distorted OSr2Sm2Cu2 octahedra that share corners with two equivalent O(4)Sr2Sm2Cu2 octahedra, corners with six equivalent O(2)Sm4 tetrahedra, edges with two equivalent O(4)Sr2Sm2Cu2 octahedra,  an edgeedge with one O(2)Sm4 tetrahedra, and faces with four equivalent O(4)Sr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fifth O site, O(5) is bonded to two equivalent Sr(3), two equivalent Sm(2), and two equivalent Cu(3) atoms to form distorted OSr2Sm2Cu2 octahedra that share corners with two equivalent O(5)Sr2Sm2Cu2 octahedra, corners with four equivalent O(11)Sr4NbCu octahedra, corners with six equivalent O(1)Ce2Sm2 tetrahedra, edges with two equivalent O(5)Sr2Sm2Cu2 octahedra,  an edgeedge with one O(1)Ce2Sm2 tetrahedra, faces with two equivalent O(11)Sr4NbCu octahedra, and faces with four equivalent O(5)Sr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the sixth O site, O(6) is bonded to two equivalent Sr(4), two equivalent Sm(3), and two equivalent Cu(4) atoms to form distorted OSr2Sm2Cu2 octahedra that share corners with two equivalent O(6)Sr2Sm2Cu2 octahedra, corners with six equivalent O(2)Sm4 tetrahedra, edges with two equivalent O(6)Sr2Sm2Cu2 octahedra,  an edgeedge with one O(2)Sm4 tetrahedra, and faces with four equivalent O(6)Sr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the seventh O site, O(7) is bonded in a linear geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Nb(1) atoms. In the eighth O site, O(8) is bonded in a linear geometry to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Nb(2) atoms. In the ninth O site, O(9) is bonded to four equivalent Sr(1), one Nb(2), and one Cu(1) atom to form distorted OSr4NbCu octahedra that share corners with four equivalent O(9)Sr4NbCu octahedra, corners with eight equivalent O(3)Sr2Ce2Cu2 octahedra, edges with four equivalent O(9)Sr4NbCu octahedra, and faces with four equivalent O(3)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-57°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to four equivalent Sr(2), one Nb(1), and one Cu(2) atom. In the eleventh O site, O(11) is bonded to four equivalent Sr(3), one Nb(1), and one Cu(3) atom to form distorted OSr4NbCu octahedra that share corners with four equivalent O(11)Sr4NbCu octahedra, corners with eight equivalent O(5)Sr2Sm2Cu2 octahedra, edges with four equivalent O(11)Sr4NbCu octahedra, and faces with four equivalent O(5)Sr2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to four equivalent Sr(4), one Nb(2), and one Cu(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4CeSm3Nb2(CuO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   3.939
_cell_length_c   29.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.192
_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
  Sr  Sr0  1  0.000  0.000  0.422  1.0
  Sr  Sr1  1  0.500  0.500  0.916  1.0
  Sr  Sr2  1  0.500  0.500  0.080  1.0
  Sr  Sr3  1  0.000  0.000  0.585  1.0
  Ce  Ce4  1  0.000  0.000  0.294  1.0
  Sm  Sm5  1  0.500  0.500  0.792  1.0
  Sm  Sm6  1  0.500  0.500  0.206  1.0
  Sm  Sm7  1  0.000  0.000  0.709  1.0
  Nb  Nb8  1  0.000  0.000  1.000  1.0
  Nb  Nb9  1  0.500  0.500  0.500  1.0
  Cu  Cu10  1  0.500  0.500  0.356  1.0
  Cu  Cu11  1  0.000  0.000  0.857  1.0
  Cu  Cu12  1  0.000  0.000  0.143  1.0
  Cu  Cu13  1  0.500  0.500  0.644  1.0
  O  O14  1  0.000  0.500  0.252  1.0
  O  O15  1  0.500  0.000  0.750  1.0
  O  O16  1  0.500  0.000  0.252  1.0
  O  O17  1  0.000  0.500  0.750  1.0
  O  O18  1  0.000  0.500  0.348  1.0
  O  O19  1  0.500  0.000  0.854  1.0
  O  O20  1  0.500  0.000  0.348  1.0
  O  O21  1  0.000  0.500  0.854  1.0
  O  O22  1  0.500  0.000  0.151  1.0
  O  O23  1  0.000  0.500  0.646  1.0
  O  O24  1  0.000  0.500  0.151  1.0
  O  O25  1  0.500  0.000  0.646  1.0
  O  O26  1  0.500  0.000  0.001  1.0
  O  O27  1  0.000  0.500  0.498  1.0
  O  O28  1  0.500  0.000  0.498  1.0
  O  O29  1  0.000  0.500  0.001  1.0
  O  O30  1  0.500  0.500  0.430  1.0
  O  O31  1  0.000  0.000  0.932  1.0
  O  O32  1  0.000  0.000  0.069  1.0
  O  O33  1  0.500  0.500  0.568  1.0
[/CIF]
.