The crystal structure described by Ba4Nd4Ti3Mn(Cu2O11)2 crystallizes in the tetragonal P4mm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Nd(2)O12 cuboctahedra,  a faceface with one Nd(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Cu(1)O5 square pyramids, and faces with two equivalent Cu(2)O5 square pyramids. In the second Ba site, Ba(2) is bonded to two equivalent O(5), two equivalent O(6), four equivalent O(2), and four equivalent O(8) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Nd(2)O12 cuboctahedra,  a faceface with one Nd(2)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, faces with two equivalent Cu(3)O5 square pyramids, and faces with two equivalent Cu(4)O5 square pyramids. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent O(10), two equivalent O(9), four equivalent O(7), and four equivalent O(8) atoms to form NdO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Nd(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with four equivalent Nd(2)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(4), and four equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ti site, Ti(2) is bonded to one O(5), one O(9), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  a cornercorner with one Cu(3)O5 square pyramid, faces with four equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Ti site, Ti(3) is bonded to one O(10), one O(6), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  a cornercorner with one Cu(4)O5 square pyramid, faces with four equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. Mn(1) is bonded to one O(3), one O(9), and four equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent Cu(2)O5 square pyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(4) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Cu site, Cu(3) is bonded to one O(5) and four equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Cu(4)O5 square pyramids, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the fourth Cu site, Cu(4) is bonded to one O(6) and four equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Cu(3)O5 square pyramids, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Nd(1), one Cu(3), and one Cu(4) atom. In the third O site, O(3) is bonded to four equivalent Ba(1), one Mn(1), and one Cu(1) atom to form distorted OBa4MnCu octahedra that share corners with four equivalent O(3)Ba4MnCu octahedra and edges with four equivalent O(4)Ba4TiCu octahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Ti(1), and one Cu(2) atom to form distorted OBa4TiCu octahedra that share corners with four equivalent O(4)Ba4TiCu octahedra and edges with four equivalent O(3)Ba4MnCu octahedra. The corner-sharing octahedral tilt angles are 15°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Ti(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Ti(3), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Nd(2), one Ti(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Nd(2), one Ti(2), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to four equivalent Nd(2), one Ti(2), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to four equivalent Nd(2), one Ti(1), and one Ti(3) atom. is represented by the CIF card [CIF]
data_Ba4Nd4Ti3Mn(Cu2O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   5.557
_cell_length_c   15.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   493.443
_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
  Ba  Ba0  1  0.500  0.000  0.764  1.0
  Ba  Ba1  1  0.000  0.500  0.764  1.0
  Ba  Ba2  1  0.500  0.000  0.234  1.0
  Ba  Ba3  1  0.000  0.500  0.234  1.0
  Nd  Nd4  1  0.500  0.000  1.000  1.0
  Nd  Nd5  1  0.000  0.500  1.000  1.0
  Nd  Nd6  1  0.500  0.000  0.502  1.0
  Nd  Nd7  1  0.000  0.500  0.502  1.0
  Ti  Ti8  1  0.500  0.500  0.626  1.0
  Ti  Ti9  1  0.000  0.000  0.375  1.0
  Ti  Ti10  1  0.500  0.500  0.375  1.0
  Mn  Mn11  1  0.000  0.000  0.623  1.0
  Cu  Cu12  1  0.000  0.000  0.891  1.0
  Cu  Cu13  1  0.500  0.500  0.892  1.0
  Cu  Cu14  1  0.000  0.000  0.107  1.0
  Cu  Cu15  1  0.500  0.500  0.108  1.0
  O  O16  1  0.250  0.250  0.904  1.0
  O  O17  1  0.750  0.750  0.904  1.0
  O  O18  1  0.250  0.750  0.904  1.0
  O  O19  1  0.750  0.250  0.904  1.0
  O  O20  1  0.250  0.250  0.096  1.0
  O  O21  1  0.750  0.750  0.096  1.0
  O  O22  1  0.250  0.750  0.096  1.0
  O  O23  1  0.750  0.250  0.096  1.0
  O  O24  1  0.000  0.000  0.740  1.0
  O  O25  1  0.500  0.500  0.742  1.0
  O  O26  1  0.000  0.000  0.259  1.0
  O  O27  1  0.500  0.500  0.258  1.0
  O  O28  1  0.247  0.247  0.612  1.0
  O  O29  1  0.753  0.753  0.612  1.0
  O  O30  1  0.247  0.753  0.612  1.0
  O  O31  1  0.753  0.247  0.612  1.0
  O  O32  1  0.250  0.250  0.388  1.0
  O  O33  1  0.750  0.750  0.388  1.0
  O  O34  1  0.250  0.750  0.388  1.0
  O  O35  1  0.750  0.250  0.388  1.0
  O  O36  1  0.000  0.000  0.502  1.0
  O  O37  1  0.500  0.500  0.501  1.0
[/CIF]
.
The crystal structure described by Ba4Nd4Ti3Mn(Cu2O11)2 crystallizes in the tetragonal P4mm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Nd(2)O12 cuboctahedra,  a faceface with one Nd(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Cu(1)O5 square pyramids, and faces with two equivalent Cu(2)O5 square pyramids. In the second Ba site, Ba(2) is bonded to two equivalent O(5), two equivalent O(6), four equivalent O(2), and four equivalent O(8) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Nd(2)O12 cuboctahedra,  a faceface with one Nd(2)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, faces with two equivalent Cu(3)O5 square pyramids, and faces with two equivalent Cu(4)O5 square pyramids. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent O(10), two equivalent O(9), four equivalent O(7), and four equivalent O(8) atoms to form NdO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Nd(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with four equivalent Nd(2)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(4), and four equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ti site, Ti(2) is bonded to one O(5), one O(9), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  a cornercorner with one Cu(3)O5 square pyramid, faces with four equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Ti site, Ti(3) is bonded to one O(10), one O(6), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  a cornercorner with one Cu(4)O5 square pyramid, faces with four equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. Mn(1) is bonded to one O(3), one O(9), and four equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent Cu(2)O5 square pyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(4) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Cu site, Cu(3) is bonded to one O(5) and four equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Cu(4)O5 square pyramids, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the fourth Cu site, Cu(4) is bonded to one O(6) and four equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Cu(3)O5 square pyramids, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Nd(1), one Cu(3), and one Cu(4) atom. In the third O site, O(3) is bonded to four equivalent Ba(1), one Mn(1), and one Cu(1) atom to form distorted OBa4MnCu octahedra that share corners with four equivalent O(3)Ba4MnCu octahedra and edges with four equivalent O(4)Ba4TiCu octahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Ti(1), and one Cu(2) atom to form distorted OBa4TiCu octahedra that share corners with four equivalent O(4)Ba4TiCu octahedra and edges with four equivalent O(3)Ba4MnCu octahedra. The corner-sharing octahedral tilt angles are 15°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Ti(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Ti(3), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Nd(2), one Ti(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Nd(2), one Ti(2), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to four equivalent Nd(2), one Ti(2), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to four equivalent Nd(2), one Ti(1), and one Ti(3) atom. is represented by the CIF card [CIF]
data_Ba4Nd4Ti3Mn(Cu2O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   5.557
_cell_length_c   15.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   493.443
_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
  Ba  Ba0  1  0.500  0.000  0.764  1.0
  Ba  Ba1  1  0.000  0.500  0.764  1.0
  Ba  Ba2  1  0.500  0.000  0.234  1.0
  Ba  Ba3  1  0.000  0.500  0.234  1.0
  Nd  Nd4  1  0.500  0.000  1.000  1.0
  Nd  Nd5  1  0.000  0.500  1.000  1.0
  Nd  Nd6  1  0.500  0.000  0.502  1.0
  Nd  Nd7  1  0.000  0.500  0.502  1.0
  Ti  Ti8  1  0.500  0.500  0.626  1.0
  Ti  Ti9  1  0.000  0.000  0.375  1.0
  Ti  Ti10  1  0.500  0.500  0.375  1.0
  Mn  Mn11  1  0.000  0.000  0.623  1.0
  Cu  Cu12  1  0.000  0.000  0.891  1.0
  Cu  Cu13  1  0.500  0.500  0.892  1.0
  Cu  Cu14  1  0.000  0.000  0.107  1.0
  Cu  Cu15  1  0.500  0.500  0.108  1.0
  O  O16  1  0.250  0.250  0.904  1.0
  O  O17  1  0.750  0.750  0.904  1.0
  O  O18  1  0.250  0.750  0.904  1.0
  O  O19  1  0.750  0.250  0.904  1.0
  O  O20  1  0.250  0.250  0.096  1.0
  O  O21  1  0.750  0.750  0.096  1.0
  O  O22  1  0.250  0.750  0.096  1.0
  O  O23  1  0.750  0.250  0.096  1.0
  O  O24  1  0.000  0.000  0.740  1.0
  O  O25  1  0.500  0.500  0.742  1.0
  O  O26  1  0.000  0.000  0.259  1.0
  O  O27  1  0.500  0.500  0.258  1.0
  O  O28  1  0.247  0.247  0.612  1.0
  O  O29  1  0.753  0.753  0.612  1.0
  O  O30  1  0.247  0.753  0.612  1.0
  O  O31  1  0.753  0.247  0.612  1.0
  O  O32  1  0.250  0.250  0.388  1.0
  O  O33  1  0.750  0.750  0.388  1.0
  O  O34  1  0.250  0.750  0.388  1.0
  O  O35  1  0.750  0.250  0.388  1.0
  O  O36  1  0.000  0.000  0.502  1.0
  O  O37  1  0.500  0.500  0.501  1.0
[/CIF]
.