The material structure described by Ba6Mn4Co2O16Cl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(4), one O(6), two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(6), four equivalent O(5), and one Cl(1) atom. In the third Ba site, Ba(3) is bonded to two equivalent O(6), three equivalent O(7), four equivalent O(5), and three equivalent Cl(1) atoms to form distorted BaCl3O9 cuboctahedra that share edges with six equivalent Ba(3)Cl3O9 cuboctahedra, edges with six equivalent Co(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Mn(1)O6 octahedra, and faces with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Co(1)O4 tetrahedra,  a faceface with one Ba(3)Cl3O9 cuboctahedra, and  a faceface with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. Co(1) is bonded to one O(6), one O(7), and two equivalent O(5) atoms to form CoO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra, and edges with three equivalent Ba(3)Cl3O9 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are seven inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(4), and two equivalent Mn(2) atoms to form a mixture of distorted face and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 8-60°. In the second O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(4), and two equivalent Mn(2) atoms to form a mixture of distorted face and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the third O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Mn(1), and one Co(1) atom. In the fourth O site, O(6) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Mn(1), and one Co(1) atom. In the fifth O site, O(7) is bonded in a distorted linear geometry to three equivalent Ba(3) and two equivalent Co(1) atoms. In the sixth O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(4), two equivalent Ba(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(4), two equivalent Ba(1), one Mn(1), and one Mn(2) atom. Cl(1) is bonded to two equivalent Ba(2) and three equivalent Ba(3) atoms to form corner-sharing ClBa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba6Mn4Co2ClO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.820
_cell_length_b   5.820
_cell_length_c   14.935
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.977
_symmetry_Int_Tables_number   1
_cell_volume   438.254
_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  0.337  0.663  0.351  1.0
  Ba  Ba1  1  0.337  0.663  0.649  1.0
  Ba  Ba2  1  0.004  0.996  0.797  1.0
  Ba  Ba3  1  0.004  0.996  0.203  1.0
  Ba  Ba4  1  0.666  0.334  0.000  1.0
  Ba  Ba5  1  0.003  0.997  0.500  1.0
  Mn  Mn6  1  0.670  0.330  0.759  1.0
  Mn  Mn7  1  0.670  0.330  0.241  1.0
  Mn  Mn8  1  0.670  0.330  0.585  1.0
  Mn  Mn9  1  0.670  0.330  0.415  1.0
  Co  Co10  1  0.337  0.663  0.879  1.0
  Co  Co11  1  0.337  0.663  0.121  1.0
  Cl  Cl12  1  0.007  0.993  0.000  1.0
  O  O13  1  0.815  0.622  0.665  1.0
  O  O14  1  0.818  0.182  0.666  1.0
  O  O15  1  0.378  0.185  0.665  1.0
  O  O16  1  0.815  0.622  0.335  1.0
  O  O17  1  0.818  0.182  0.334  1.0
  O  O18  1  0.378  0.185  0.335  1.0
  O  O19  1  0.964  0.476  0.500  1.0
  O  O20  1  0.524  0.036  0.500  1.0
  O  O21  1  0.521  0.479  0.500  1.0
  O  O22  1  0.986  0.487  0.830  1.0
  O  O23  1  0.513  0.014  0.830  1.0
  O  O24  1  0.511  0.489  0.828  1.0
  O  O25  1  0.986  0.487  0.170  1.0
  O  O26  1  0.513  0.014  0.170  1.0
  O  O27  1  0.511  0.489  0.172  1.0
  O  O28  1  0.350  0.650  0.000  1.0
[/CIF]
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The material structure described by Ba6Mn4Co2O16Cl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(4), one O(6), two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(6), four equivalent O(5), and one Cl(1) atom. In the third Ba site, Ba(3) is bonded to two equivalent O(6), three equivalent O(7), four equivalent O(5), and three equivalent Cl(1) atoms to form distorted BaCl3O9 cuboctahedra that share edges with six equivalent Ba(3)Cl3O9 cuboctahedra, edges with six equivalent Co(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to two equivalent O(2), two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Mn(1)O6 octahedra, and faces with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Co(1)O4 tetrahedra,  a faceface with one Ba(3)Cl3O9 cuboctahedra, and  a faceface with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. Co(1) is bonded to one O(6), one O(7), and two equivalent O(5) atoms to form CoO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra, and edges with three equivalent Ba(3)Cl3O9 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are seven inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(4), and two equivalent Mn(2) atoms to form a mixture of distorted face and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 8-60°. In the second O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(4), and two equivalent Mn(2) atoms to form a mixture of distorted face and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the third O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Mn(1), and one Co(1) atom. In the fourth O site, O(6) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Mn(1), and one Co(1) atom. In the fifth O site, O(7) is bonded in a distorted linear geometry to three equivalent Ba(3) and two equivalent Co(1) atoms. In the sixth O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(4), two equivalent Ba(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(4), two equivalent Ba(1), one Mn(1), and one Mn(2) atom. Cl(1) is bonded to two equivalent Ba(2) and three equivalent Ba(3) atoms to form corner-sharing ClBa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba6Mn4Co2ClO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.820
_cell_length_b   5.820
_cell_length_c   14.935
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.977
_symmetry_Int_Tables_number   1
_cell_volume   438.254
_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  0.337  0.663  0.351  1.0
  Ba  Ba1  1  0.337  0.663  0.649  1.0
  Ba  Ba2  1  0.004  0.996  0.797  1.0
  Ba  Ba3  1  0.004  0.996  0.203  1.0
  Ba  Ba4  1  0.666  0.334  0.000  1.0
  Ba  Ba5  1  0.003  0.997  0.500  1.0
  Mn  Mn6  1  0.670  0.330  0.759  1.0
  Mn  Mn7  1  0.670  0.330  0.241  1.0
  Mn  Mn8  1  0.670  0.330  0.585  1.0
  Mn  Mn9  1  0.670  0.330  0.415  1.0
  Co  Co10  1  0.337  0.663  0.879  1.0
  Co  Co11  1  0.337  0.663  0.121  1.0
  Cl  Cl12  1  0.007  0.993  0.000  1.0
  O  O13  1  0.815  0.622  0.665  1.0
  O  O14  1  0.818  0.182  0.666  1.0
  O  O15  1  0.378  0.185  0.665  1.0
  O  O16  1  0.815  0.622  0.335  1.0
  O  O17  1  0.818  0.182  0.334  1.0
  O  O18  1  0.378  0.185  0.335  1.0
  O  O19  1  0.964  0.476  0.500  1.0
  O  O20  1  0.524  0.036  0.500  1.0
  O  O21  1  0.521  0.479  0.500  1.0
  O  O22  1  0.986  0.487  0.830  1.0
  O  O23  1  0.513  0.014  0.830  1.0
  O  O24  1  0.511  0.489  0.828  1.0
  O  O25  1  0.986  0.487  0.170  1.0
  O  O26  1  0.513  0.014  0.170  1.0
  O  O27  1  0.511  0.489  0.172  1.0
  O  O28  1  0.350  0.650  0.000  1.0
[/CIF]
.