The structure described by Ba5Y8Mn4O21 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted q6 geometry to two equivalent O(1) and eight equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Y site, Y(2) is bonded to one O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O5 trigonal bipyramids, and faces with two equivalent Y(2)O7 pentagonal bipyramids. Mn(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Y(2)O7 pentagonal bipyramids and edges with two equivalent Y(2)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Y(2) atoms to form OBa2Y4 octahedra that share corners with two equivalent O(1)Ba2Y4 octahedra, corners with eight equivalent O(3)Ba2Y3Mn octahedra, and faces with eight equivalent O(3)Ba2Y3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Y(1), and one Mn(1) atom to form distorted OBa4YMn octahedra that share corners with two equivalent O(2)Ba4YMn octahedra, corners with six equivalent O(3)Ba2Y3Mn octahedra, edges with five equivalent O(2)Ba4YMn octahedra, and faces with two equivalent O(3)Ba2Y3Mn octahedra. The corner-sharing octahedral tilt angles range from 7-59°. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Y(1), two equivalent Y(2), and one Mn(1) atom to form distorted OBa2Y3Mn octahedra that share  a cornercorner with one O(1)Ba2Y4 octahedra, corners with three equivalent O(2)Ba4YMn octahedra, corners with six equivalent O(3)Ba2Y3Mn octahedra, edges with two equivalent O(3)Ba2Y3Mn octahedra,  a faceface with one O(1)Ba2Y4 octahedra,  a faceface with one O(2)Ba4YMn octahedra, and faces with two equivalent O(3)Ba2Y3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-76°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Y(2), two equivalent Y(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Y8Mn4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.348
_cell_length_b   10.348
_cell_length_c   10.348
_cell_angle_alpha   94.526
_cell_angle_beta   94.526
_cell_angle_gamma   147.371
_symmetry_Int_Tables_number   1
_cell_volume   573.471
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.139  0.534  0.673  1.0
  Ba  Ba2  1  0.861  0.466  0.327  1.0
  Ba  Ba3  1  0.466  0.139  0.606  1.0
  Ba  Ba4  1  0.534  0.861  0.394  1.0
  Y  Y5  1  0.170  0.249  0.419  1.0
  Y  Y6  1  0.830  0.751  0.581  1.0
  Y  Y7  1  0.751  0.170  0.921  1.0
  Y  Y8  1  0.249  0.830  0.079  1.0
  Y  Y9  1  0.359  0.410  0.770  1.0
  Y  Y10  1  0.641  0.590  0.230  1.0
  Y  Y11  1  0.590  0.359  0.949  1.0
  Y  Y12  1  0.410  0.641  0.051  1.0
  Mn  Mn13  1  0.248  0.040  0.288  1.0
  Mn  Mn14  1  0.752  0.960  0.712  1.0
  Mn  Mn15  1  0.960  0.248  0.208  1.0
  Mn  Mn16  1  0.040  0.752  0.792  1.0
  O  O17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.962  0.627  0.589  1.0
  O  O19  1  0.038  0.373  0.411  1.0
  O  O20  1  0.373  0.962  0.334  1.0
  O  O21  1  0.627  0.038  0.666  1.0
  O  O22  1  0.299  0.428  0.225  1.0
  O  O23  1  0.203  0.074  0.775  1.0
  O  O24  1  0.074  0.299  0.871  1.0
  O  O25  1  0.428  0.203  0.129  1.0
  O  O26  1  0.701  0.572  0.775  1.0
  O  O27  1  0.797  0.926  0.225  1.0
  O  O28  1  0.926  0.701  0.129  1.0
  O  O29  1  0.572  0.797  0.871  1.0
  O  O30  1  0.493  0.600  0.594  1.0
  O  O31  1  0.005  0.899  0.406  1.0
  O  O32  1  0.899  0.493  0.893  1.0
  O  O33  1  0.600  0.005  0.107  1.0
  O  O34  1  0.507  0.400  0.406  1.0
  O  O35  1  0.995  0.101  0.594  1.0
  O  O36  1  0.101  0.507  0.107  1.0
  O  O37  1  0.400  0.995  0.893  1.0
[/CIF]
.
The structure described by Ba5Y8Mn4O21 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted q6 geometry to two equivalent O(1) and eight equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Y site, Y(2) is bonded to one O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O5 trigonal bipyramids, and faces with two equivalent Y(2)O7 pentagonal bipyramids. Mn(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Y(2)O7 pentagonal bipyramids and edges with two equivalent Y(2)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Y(2) atoms to form OBa2Y4 octahedra that share corners with two equivalent O(1)Ba2Y4 octahedra, corners with eight equivalent O(3)Ba2Y3Mn octahedra, and faces with eight equivalent O(3)Ba2Y3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Y(1), and one Mn(1) atom to form distorted OBa4YMn octahedra that share corners with two equivalent O(2)Ba4YMn octahedra, corners with six equivalent O(3)Ba2Y3Mn octahedra, edges with five equivalent O(2)Ba4YMn octahedra, and faces with two equivalent O(3)Ba2Y3Mn octahedra. The corner-sharing octahedral tilt angles range from 7-59°. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Y(1), two equivalent Y(2), and one Mn(1) atom to form distorted OBa2Y3Mn octahedra that share  a cornercorner with one O(1)Ba2Y4 octahedra, corners with three equivalent O(2)Ba4YMn octahedra, corners with six equivalent O(3)Ba2Y3Mn octahedra, edges with two equivalent O(3)Ba2Y3Mn octahedra,  a faceface with one O(1)Ba2Y4 octahedra,  a faceface with one O(2)Ba4YMn octahedra, and faces with two equivalent O(3)Ba2Y3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-76°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Y(2), two equivalent Y(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Y8Mn4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.348
_cell_length_b   10.348
_cell_length_c   10.348
_cell_angle_alpha   94.526
_cell_angle_beta   94.526
_cell_angle_gamma   147.371
_symmetry_Int_Tables_number   1
_cell_volume   573.471
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.139  0.534  0.673  1.0
  Ba  Ba2  1  0.861  0.466  0.327  1.0
  Ba  Ba3  1  0.466  0.139  0.606  1.0
  Ba  Ba4  1  0.534  0.861  0.394  1.0
  Y  Y5  1  0.170  0.249  0.419  1.0
  Y  Y6  1  0.830  0.751  0.581  1.0
  Y  Y7  1  0.751  0.170  0.921  1.0
  Y  Y8  1  0.249  0.830  0.079  1.0
  Y  Y9  1  0.359  0.410  0.770  1.0
  Y  Y10  1  0.641  0.590  0.230  1.0
  Y  Y11  1  0.590  0.359  0.949  1.0
  Y  Y12  1  0.410  0.641  0.051  1.0
  Mn  Mn13  1  0.248  0.040  0.288  1.0
  Mn  Mn14  1  0.752  0.960  0.712  1.0
  Mn  Mn15  1  0.960  0.248  0.208  1.0
  Mn  Mn16  1  0.040  0.752  0.792  1.0
  O  O17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.962  0.627  0.589  1.0
  O  O19  1  0.038  0.373  0.411  1.0
  O  O20  1  0.373  0.962  0.334  1.0
  O  O21  1  0.627  0.038  0.666  1.0
  O  O22  1  0.299  0.428  0.225  1.0
  O  O23  1  0.203  0.074  0.775  1.0
  O  O24  1  0.074  0.299  0.871  1.0
  O  O25  1  0.428  0.203  0.129  1.0
  O  O26  1  0.701  0.572  0.775  1.0
  O  O27  1  0.797  0.926  0.225  1.0
  O  O28  1  0.926  0.701  0.129  1.0
  O  O29  1  0.572  0.797  0.871  1.0
  O  O30  1  0.493  0.600  0.594  1.0
  O  O31  1  0.005  0.899  0.406  1.0
  O  O32  1  0.899  0.493  0.893  1.0
  O  O33  1  0.600  0.005  0.107  1.0
  O  O34  1  0.507  0.400  0.406  1.0
  O  O35  1  0.995  0.101  0.594  1.0
  O  O36  1  0.101  0.507  0.107  1.0
  O  O37  1  0.400  0.995  0.893  1.0
[/CIF]
.