data_Mn19Co5O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.8
_cell_angle_alpha   90.11
_cell_angle_beta   90.11
_cell_angle_gamma   90.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn19Co5O32
_chemical_formula_sum   'Mn19 Co5 O32'
_cell_volume   581.92
_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
  Mn  Mn0  1  0.35  0.0  0.2  1.0
  Mn  Mn1  1  0.93  0.0  0.64  1.0
  Mn  Mn2  1  0.28  0.11  0.58  1.0
  Mn  Mn3  1  0.15  0.89  0.22  1.0
  Mn  Mn4  1  0.28  0.89  0.58  1.0
  Mn  Mn5  1  0.15  0.11  0.22  1.0
  Mn  Mn6  1  0.16  0.0  0.18  1.0
  Mn  Mn7  1  0.32  0.0  0.61  1.0
  Mn  Mn13  1  0.75  0.0  0.43  1.0
  Mn  Mn14  1  0.76  0.89  0.03  1.0
  Mn  Mn15  1  0.76  0.11  0.03  1.0
  Mn  Mn16  1  0.09  0.33  0.6  1.0
  Mn  Mn17  1  0.09  0.67  0.6  1.0
  Mn  Mn18  1  0.84  0.15  0.77  1.0
  Mn  Mn19  1  0.84  0.0  0.4  1.0
  Mn  Mn20  1  0.61  0.0  0.4  1.0
  Mn  Mn21  1  0.29  0.44  0.16  1.0
  Mn  Mn22  1  0.84  0.85  0.77  1.0
  Mn  Mn23  1  0.29  0.56  0.16  1.0
  Co  Co8  1  1.0  0.41  0.17  1.0
  Co  Co9  1  1.0  0.59  0.17  1.0
  Co  Co10  1  0.14  0.56  0.61  1.0
  Co  Co11  1  0.14  0.44  0.61  1.0
  Co  Co12  1  0.43  0.0  0.4  1.0
  O  O24  1  0.04  0.0  0.23  1.0
  O  O25  1  0.43  0.0  0.32  1.0
  O  O26  1  0.44  0.93  0.86  1.0
  O  O27  1  0.96  0.21  0.91  1.0
  O  O28  1  0.99  0.72  0.39  1.0
  O  O29  1  0.42  0.3  0.44  1.0
  O  O30  1  0.18  0.39  0.02  1.0
  O  O31  1  0.31  0.59  0.78  1.0
  O  O32  1  0.96  0.79  0.91  1.0
  O  O33  1  0.44  0.07  0.86  1.0
  O  O34  1  0.31  0.41  0.78  1.0
  O  O35  1  0.18  0.61  0.02  1.0
  O  O36  1  0.42  0.7  0.44  1.0
  O  O37  1  0.99  0.28  0.39  1.0
  O  O38  1  0.84  0.9  0.87  1.0
  O  O39  1  0.62  0.19  0.94  1.0
  O  O40  1  0.58  0.0  0.43  1.0
  O  O41  1  0.84  0.0  0.33  1.0
  O  O42  1  0.14  0.8  0.0  1.0
  O  O43  1  0.27  0.15  0.8  1.0
  O  O44  1  0.07  0.0  0.38  1.0
  O  O45  1  0.35  0.0  0.5  1.0
  O  O46  1  0.17  0.27  0.39  1.0
  O  O47  1  0.3  0.71  0.39  1.0
  O  O48  1  0.84  0.1  0.87  1.0
  O  O49  1  0.62  0.81  0.94  1.0
  O  O50  1  0.3  0.29  0.39  1.0
  O  O51  1  0.17  0.73  0.39  1.0
  O  O52  1  0.27  0.85  0.8  1.0
  O  O53  1  0.14  0.2  0.0  1.0
  O  O54  1  0.63  0.0  0.47  1.0
  O  O55  1  0.62  0.0  0.58  1.0

data_Mn19Co5O32
_symmetry_space_group_name_H-M   Pm
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn19Co5O32
_chemical_formula_sum   'Mn19 Co5 O32'
_cell_volume   581.95
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mn  Mn0  2  0.09  0.33  0.6  1.0
  Mn  Mn1  2  0.15  0.11  0.22  1.0
  Mn  Mn2  2  0.28  0.11  0.58  1.0
  Mn  Mn3  2  0.29  0.44  0.16  1.0
  Mn  Mn4  2  0.76  0.11  0.03  1.0
  Mn  Mn5  2  0.84  0.15  0.77  1.0
  Mn  Mn6  1  0.16  0.0  0.18  1.0
  Mn  Mn7  1  0.32  0.0  0.61  1.0
  Mn  Mn8  1  0.35  0.0  0.2  1.0
  Mn  Mn9  1  0.61  0.0  0.4  1.0
  Mn  Mn10  1  0.75  0.0  0.43  1.0
  Mn  Mn11  1  0.84  0.0  0.4  1.0
  Mn  Mn12  1  0.93  0.0  0.64  1.0
  Co  Co13  2  0.14  0.44  0.61  1.0
  Co  Co14  2  1.0  0.41  0.17  1.0
  Co  Co15  1  0.43  0.0  0.4  1.0
  O  O16  2  0.14  0.2  0.0  1.0
  O  O17  2  0.17  0.27  0.39  1.0
  O  O18  2  0.18  0.39  0.02  1.0
  O  O19  2  0.27  0.15  0.8  1.0
  O  O20  2  0.3  0.29  0.39  1.0
  O  O21  2  0.31  0.41  0.78  1.0
  O  O22  2  0.42  0.3  0.44  1.0
  O  O23  2  0.44  0.07  0.86  1.0
  O  O24  2  0.62  0.19  0.94  1.0
  O  O25  2  0.84  0.1  0.87  1.0
  O  O26  2  0.96  0.21  0.91  1.0
  O  O27  2  0.99  0.28  0.39  1.0
  O  O28  1  0.04  0.0  0.23  1.0
  O  O29  1  0.07  0.0  0.38  1.0
  O  O30  1  0.35  0.0  0.5  1.0
  O  O31  1  0.43  0.0  0.32  1.0
  O  O32  1  0.58  0.0  0.43  1.0
  O  O33  1  0.62  0.0  0.58  1.0
  O  O34  1  0.63  0.0  0.47  1.0
  O  O35  1  0.84  0.0  0.33  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Co Co Co Co Co O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O
Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Co Co Co Co Co O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0 25 o o o 1 17 o - o 1 14 o o o 1 13 o o o 2 7 o o o 2 43 o o o 3 6 o + o 3 24 o + o 4 7 o + o 5 6 o o o 5 24 o o o 6 24 o o o 7 45 o o o 8 14 o o o 9 49 o o - 9 38 o o - 10 39 o o - 10 48 o o - 11 22 o o o 12 21 o o o 13 48 o o o 13 27 o o o 14 41 o o o 15 40 o o o 15 54 o o o 16 18 o o o 16 30 o o o 17 38 o o o 17 32 o o o 18 35 o o o 19 20 o o o 21 22 o o o 23 25 o o o 23 45 o o o 24 44 o o o 26 33 o + o 26 52 o o o 27 48 o o o 27 53 + o + 28 51 + o o 29 50 o o o 30 53 o o o 30 35 o o o 31 34 o o o 32 38 o o o 32 42 + o + 33 43 o o o 35 42 o o o 36 47 o o o 37 46 + o o 40 54 o o o 46 50 o o o 47 51 o o o 54 55 o o o 
Mn19Co5O32 crystallizes in the monoclinic Pm space group. There are thirteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one O(2) atom. The Mn(1)-O(2) bond length is 1.23 Å. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent Mn(10), one O(15), and one O(20) atom. Both Mn(2)-Mn(10) bond lengths are 1.83 Å. The Mn(2)-O(15) bond length is 2.58 Å. The Mn(2)-O(20) bond length is 2.56 Å. In the third Mn site, Mn(3) is bonded in a 3-coordinate geometry to one Mn(6), one O(14), one O(16), and one O(18) atom. The Mn(3)-Mn(6) bond length is 0.96 Å. The Mn(3)-O(14) bond length is 1.95 Å. The Mn(3)-O(16) bond length is 1.25 Å. The Mn(3)-O(18) bond length is 2.19 Å. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one Mn(5), one O(1), one O(13), one O(15), and one O(17) atom. The Mn(4)-Mn(5) bond length is 0.94 Å. The Mn(4)-O(1) bond length is 1.27 Å. The Mn(4)-O(13) bond length is 2.06 Å. The Mn(4)-O(15) bond length is 1.77 Å. The Mn(4)-O(17) bond length is 2.01 Å. In the fifth Mn site, Mn(5) is bonded in a 3-coordinate geometry to two equivalent Mn(4) and one O(1) atom. The Mn(5)-O(1) bond length is 1.07 Å. In the sixth Mn site, Mn(6) is bonded in a single-bond geometry to two equivalent Mn(3), one O(16), and two equivalent O(3) atoms. The Mn(6)-O(16) bond length is 0.94 Å. Both Mn(6)-O(3) bond lengths are 2.45 Å. In the seventh Mn site, Mn(7) is bonded in a 2-coordinate geometry to one Mn(11) and one O(19) atom. The Mn(7)-Mn(11) bond length is 0.79 Å. The Mn(7)-O(19) bond length is 1.06 Å. In the eighth Mn site, Mn(8) is bonded in a distorted L-shaped geometry to one O(10), one O(4), and one O(9) atom. The Mn(8)-O(10) bond length is 1.52 Å. The Mn(8)-O(4) bond length is 2.06 Å. The Mn(8)-O(9) bond length is 1.50 Å. In the ninth Mn site, Mn(9) is bonded in a 3-coordinate geometry to one Co(2), one O(17), and one O(5) atom. The Mn(9)-Co(2) bond length is 0.95 Å. The Mn(9)-O(17) bond length is 2.05 Å. The Mn(9)-O(5) bond length is 2.09 Å. In the tenth Mn site, Mn(10) is bonded in a single-bond geometry to one Mn(2), one O(4), and one O(9) atom. The Mn(10)-O(4) bond length is 1.68 Å. The Mn(10)-O(9) bond length is 0.99 Å. In the eleventh Mn site, Mn(11) is bonded in a single-bond geometry to one Mn(7), one O(12), and one O(15) atom. The Mn(11)-O(12) bond length is 0.63 Å. The Mn(11)-O(15) bond length is 1.89 Å. In the twelfth Mn site, Mn(12) is bonded in a distorted single-bond geometry to one O(11) and one O(19) atom. The Mn(12)-O(11) bond length is 0.38 Å. The Mn(12)-O(19) bond length is 0.67 Å. In the thirteenth Mn site, Mn(13) is bonded in a distorted single-bond geometry to one O(18) and one O(7) atom. The Mn(13)-O(18) bond length is 2.39 Å. The Mn(13)-O(7) bond length is 1.59 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one O(5) and one O(7) atom. The Co(1)-O(5) bond length is 2.18 Å. The Co(1)-O(7) bond length is 2.03 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one Mn(9), one Co(2), and one O(8) atom. The Co(2)-Co(2) bond length is 1.02 Å. The Co(2)-O(8) bond length is 2.04 Å. In the third Co site, Co(3) is bonded in a 3-coordinate geometry to one O(11), one O(16), and one O(2) atom. The Co(3)-O(11) bond length is 1.22 Å. The Co(3)-O(16) bond length is 1.11 Å. The Co(3)-O(2) bond length is 0.68 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(5), two equivalent Mn(4), and one O(15) atom. The O(1)-O(15) bond length is 1.34 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mn(1) and one Co(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(6), one O(10), one O(14), and one O(3) atom. The O(3)-O(10) bond length is 1.92 Å. The O(3)-O(14) bond length is 1.57 Å. The O(3)-O(3) bond length is 1.11 Å. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(10), one Mn(8), one O(13), and one O(9) atom. The O(4)-O(13) bond length is 1.64 Å. The O(4)-O(9) bond length is 1.40 Å. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(9), one Co(1), and one O(17) atom. The O(5)-O(17) bond length is 1.44 Å. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one O(18) atom. The O(6)-O(18) bond length is 1.07 Å. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Mn(13) and one Co(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Co(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mn(10), one Mn(8), and one O(4) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Mn(8) and one O(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Mn(12), one Co(3), and one O(19) atom. The O(11)-O(19) bond length is 0.58 Å. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Mn(11) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one Mn(4) and one O(4) atom. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one Mn(3) and one O(3) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Mn(11), one Mn(2), two equivalent Mn(4), and one O(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Mn(6), two equivalent Mn(3), and one Co(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Mn(4), one Mn(9), one O(18), and one O(5) atom. The O(17)-O(18) bond length is 1.06 Å. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Mn(13), one Mn(3), one O(17), and one O(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Mn(12), one Mn(7), one O(11), and one O(20) atom. The O(19)-O(20) bond length is 0.94 Å. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Mn(2) and one O(19) atom.