The crystal structure described by Mn29H2 crystallizes in the monoclinic Cm space group. There are eighteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to one Mn(16), one Mn(18), one Mn(3), one Mn(8), two equivalent Mn(17), two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(5), two equivalent Mn(6), and two equivalent Mn(7) atoms. In the second Mn site, Mn(2) is bonded in a 13-coordinate geometry to one Mn(1), one Mn(10), one Mn(11), one Mn(12), one Mn(14), one Mn(16), one Mn(17), one Mn(18), one Mn(2), one Mn(3), one Mn(4), one Mn(9), and one H(1) atom. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(15), one Mn(16), one Mn(8), two equivalent Mn(13), two equivalent Mn(17), two equivalent Mn(2), and two equivalent Mn(9) atoms. In the fourth Mn site, Mn(4) is bonded in a 13-coordinate geometry to one Mn(1), one Mn(13), one Mn(14), one Mn(18), one Mn(2), one Mn(5), one Mn(6), one Mn(9), two equivalent Mn(12), two equivalent Mn(17), and one H(1) atom. In the fifth Mn site, Mn(5) is bonded in a single-bond geometry to one Mn(1), one Mn(13), one Mn(16), one Mn(4), one Mn(6), two equivalent Mn(17), and one H(1) atom. In the sixth Mn site, Mn(6) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(10), one Mn(11), one Mn(12), one Mn(13), one Mn(15), one Mn(16), one Mn(17), one Mn(18), one Mn(4), one Mn(5), and one Mn(6) atom. In the seventh Mn site, Mn(7) is bonded in a single-bond geometry to one Mn(1), one Mn(15), one Mn(16), one Mn(17), one Mn(18), one Mn(8), and one H(1) atom. In the eighth Mn site, Mn(8) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(10), one Mn(18), one Mn(3), two equivalent Mn(13), two equivalent Mn(14), two equivalent Mn(17), and two equivalent Mn(7) atoms. In the ninth Mn site, Mn(9) is bonded in a single-bond geometry to one Mn(13), one Mn(15), one Mn(16), one Mn(17), one Mn(2), one Mn(3), one Mn(4), and one H(1) atom. In the tenth Mn site, Mn(10) is bonded in a 13-coordinate geometry to one Mn(16), one Mn(18), one Mn(8), two equivalent Mn(11), two equivalent Mn(13), two equivalent Mn(14), two equivalent Mn(2), and two equivalent Mn(6) atoms. In the eleventh Mn site, Mn(11) is bonded in a single-bond geometry to one Mn(10), one Mn(13), one Mn(16), one Mn(17), one Mn(2), one Mn(6), and one H(1) atom. In the twelfth Mn site, Mn(12) is bonded in a single-bond geometry to one Mn(13), one Mn(15), one Mn(17), one Mn(18), one Mn(2), one Mn(6), two equivalent Mn(4), and one H(1) atom. In the thirteenth Mn site, Mn(13) is bonded in a 13-coordinate geometry to one Mn(10), one Mn(11), one Mn(12), one Mn(14), one Mn(15), one Mn(3), one Mn(4), one Mn(5), one Mn(6), one Mn(8), one Mn(9), and two equivalent Mn(17) atoms. In the fourteenth Mn site, Mn(14) is bonded in a single-bond geometry to one Mn(10), one Mn(13), one Mn(17), one Mn(18), one Mn(2), one Mn(4), one Mn(8), and one H(1) atom. In the fifteenth Mn site, Mn(15) is bonded in a 13-coordinate geometry to one Mn(16), one Mn(18), one Mn(3), two equivalent Mn(12), two equivalent Mn(13), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the sixteenth Mn site, Mn(16) is bonded in a 16-coordinate geometry to one Mn(1), one Mn(10), one Mn(15), one Mn(3), two equivalent Mn(11), two equivalent Mn(2), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the seventeenth Mn site, Mn(17) is bonded in a 16-coordinate geometry to one Mn(1), one Mn(11), one Mn(12), one Mn(14), one Mn(2), one Mn(3), one Mn(6), one Mn(7), one Mn(8), one Mn(9), two equivalent Mn(13), two equivalent Mn(4), and two equivalent Mn(5) atoms. In the eighteenth Mn site, Mn(18) is bonded in a 16-coordinate geometry to one Mn(1), one Mn(10), one Mn(15), one Mn(8), two equivalent Mn(12), two equivalent Mn(14), two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(6), and two equivalent Mn(7) atoms. H(1) is bonded in a distorted pentagonal pyramidal geometry to one Mn(11), one Mn(12), one Mn(14), one Mn(2), one Mn(4), one Mn(5), one Mn(7), and one Mn(9) atom. is represented by the CIF file [CIF]
data_Mn29H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.502
_cell_length_b   7.502
_cell_length_c   7.494
_cell_angle_alpha   70.501
_cell_angle_beta   70.501
_cell_angle_gamma   109.372
_symmetry_Int_Tables_number   1
_cell_volume   324.835
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.822  0.628  0.372  1.0
  Mn  Mn2  1  0.628  0.822  0.372  1.0
  Mn  Mn3  1  0.627  0.627  0.178  1.0
  Mn  Mn4  1  0.179  0.807  0.193  1.0
  Mn  Mn5  1  0.372  0.999  0.809  1.0
  Mn  Mn6  1  0.373  0.195  0.000  1.0
  Mn  Mn7  1  0.001  0.192  0.628  1.0
  Mn  Mn8  1  0.192  0.001  0.628  1.0
  Mn  Mn9  1  0.806  0.806  0.821  1.0
  Mn  Mn10  1  0.999  0.372  0.809  1.0
  Mn  Mn11  1  0.807  0.179  0.193  1.0
  Mn  Mn12  1  0.195  0.373  0.000  1.0
  Mn  Mn13  1  0.296  0.616  0.385  1.0
  Mn  Mn14  1  0.616  0.296  0.385  1.0
  Mn  Mn15  1  0.612  0.612  0.711  1.0
  Mn  Mn16  1  0.704  0.320  0.680  1.0
  Mn  Mn17  1  0.387  0.000  0.320  1.0
  Mn  Mn18  1  0.388  0.677  0.000  1.0
  Mn  Mn19  1  1.000  0.680  0.613  1.0
  Mn  Mn20  1  0.680  1.000  0.613  1.0
  Mn  Mn21  1  0.323  0.323  0.289  1.0
  Mn  Mn22  1  0.000  0.387  0.320  1.0
  Mn  Mn23  1  0.320  0.704  0.680  1.0
  Mn  Mn24  1  0.677  0.388  0.000  1.0
  Mn  Mn25  1  0.362  0.362  0.639  1.0
  Mn  Mn26  1  0.638  0.999  0.000  1.0
  Mn  Mn27  1  0.000  0.000  0.361  1.0
  Mn  Mn28  1  0.999  0.638  0.000  1.0
  H  H29  1  1.000  0.460  0.540  1.0
  H  H30  1  0.460  1.000  0.540  1.0
[/CIF]
.
The crystal structure described by Mn29H2 crystallizes in the monoclinic Cm space group. There are eighteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to one Mn(16), one Mn(18), one Mn(3), one Mn(8), two equivalent Mn(17), two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(5), two equivalent Mn(6), and two equivalent Mn(7) atoms. In the second Mn site, Mn(2) is bonded in a 13-coordinate geometry to one Mn(1), one Mn(10), one Mn(11), one Mn(12), one Mn(14), one Mn(16), one Mn(17), one Mn(18), one Mn(2), one Mn(3), one Mn(4), one Mn(9), and one H(1) atom. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(15), one Mn(16), one Mn(8), two equivalent Mn(13), two equivalent Mn(17), two equivalent Mn(2), and two equivalent Mn(9) atoms. In the fourth Mn site, Mn(4) is bonded in a 13-coordinate geometry to one Mn(1), one Mn(13), one Mn(14), one Mn(18), one Mn(2), one Mn(5), one Mn(6), one Mn(9), two equivalent Mn(12), two equivalent Mn(17), and one H(1) atom. In the fifth Mn site, Mn(5) is bonded in a single-bond geometry to one Mn(1), one Mn(13), one Mn(16), one Mn(4), one Mn(6), two equivalent Mn(17), and one H(1) atom. In the sixth Mn site, Mn(6) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(10), one Mn(11), one Mn(12), one Mn(13), one Mn(15), one Mn(16), one Mn(17), one Mn(18), one Mn(4), one Mn(5), and one Mn(6) atom. In the seventh Mn site, Mn(7) is bonded in a single-bond geometry to one Mn(1), one Mn(15), one Mn(16), one Mn(17), one Mn(18), one Mn(8), and one H(1) atom. In the eighth Mn site, Mn(8) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(10), one Mn(18), one Mn(3), two equivalent Mn(13), two equivalent Mn(14), two equivalent Mn(17), and two equivalent Mn(7) atoms. In the ninth Mn site, Mn(9) is bonded in a single-bond geometry to one Mn(13), one Mn(15), one Mn(16), one Mn(17), one Mn(2), one Mn(3), one Mn(4), and one H(1) atom. In the tenth Mn site, Mn(10) is bonded in a 13-coordinate geometry to one Mn(16), one Mn(18), one Mn(8), two equivalent Mn(11), two equivalent Mn(13), two equivalent Mn(14), two equivalent Mn(2), and two equivalent Mn(6) atoms. In the eleventh Mn site, Mn(11) is bonded in a single-bond geometry to one Mn(10), one Mn(13), one Mn(16), one Mn(17), one Mn(2), one Mn(6), and one H(1) atom. In the twelfth Mn site, Mn(12) is bonded in a single-bond geometry to one Mn(13), one Mn(15), one Mn(17), one Mn(18), one Mn(2), one Mn(6), two equivalent Mn(4), and one H(1) atom. In the thirteenth Mn site, Mn(13) is bonded in a 13-coordinate geometry to one Mn(10), one Mn(11), one Mn(12), one Mn(14), one Mn(15), one Mn(3), one Mn(4), one Mn(5), one Mn(6), one Mn(8), one Mn(9), and two equivalent Mn(17) atoms. In the fourteenth Mn site, Mn(14) is bonded in a single-bond geometry to one Mn(10), one Mn(13), one Mn(17), one Mn(18), one Mn(2), one Mn(4), one Mn(8), and one H(1) atom. In the fifteenth Mn site, Mn(15) is bonded in a 13-coordinate geometry to one Mn(16), one Mn(18), one Mn(3), two equivalent Mn(12), two equivalent Mn(13), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the sixteenth Mn site, Mn(16) is bonded in a 16-coordinate geometry to one Mn(1), one Mn(10), one Mn(15), one Mn(3), two equivalent Mn(11), two equivalent Mn(2), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the seventeenth Mn site, Mn(17) is bonded in a 16-coordinate geometry to one Mn(1), one Mn(11), one Mn(12), one Mn(14), one Mn(2), one Mn(3), one Mn(6), one Mn(7), one Mn(8), one Mn(9), two equivalent Mn(13), two equivalent Mn(4), and two equivalent Mn(5) atoms. In the eighteenth Mn site, Mn(18) is bonded in a 16-coordinate geometry to one Mn(1), one Mn(10), one Mn(15), one Mn(8), two equivalent Mn(12), two equivalent Mn(14), two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(6), and two equivalent Mn(7) atoms. H(1) is bonded in a distorted pentagonal pyramidal geometry to one Mn(11), one Mn(12), one Mn(14), one Mn(2), one Mn(4), one Mn(5), one Mn(7), and one Mn(9) atom. is represented by the CIF file [CIF]
data_Mn29H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.502
_cell_length_b   7.502
_cell_length_c   7.494
_cell_angle_alpha   70.501
_cell_angle_beta   70.501
_cell_angle_gamma   109.372
_symmetry_Int_Tables_number   1
_cell_volume   324.835
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.822  0.628  0.372  1.0
  Mn  Mn2  1  0.628  0.822  0.372  1.0
  Mn  Mn3  1  0.627  0.627  0.178  1.0
  Mn  Mn4  1  0.179  0.807  0.193  1.0
  Mn  Mn5  1  0.372  0.999  0.809  1.0
  Mn  Mn6  1  0.373  0.195  0.000  1.0
  Mn  Mn7  1  0.001  0.192  0.628  1.0
  Mn  Mn8  1  0.192  0.001  0.628  1.0
  Mn  Mn9  1  0.806  0.806  0.821  1.0
  Mn  Mn10  1  0.999  0.372  0.809  1.0
  Mn  Mn11  1  0.807  0.179  0.193  1.0
  Mn  Mn12  1  0.195  0.373  0.000  1.0
  Mn  Mn13  1  0.296  0.616  0.385  1.0
  Mn  Mn14  1  0.616  0.296  0.385  1.0
  Mn  Mn15  1  0.612  0.612  0.711  1.0
  Mn  Mn16  1  0.704  0.320  0.680  1.0
  Mn  Mn17  1  0.387  0.000  0.320  1.0
  Mn  Mn18  1  0.388  0.677  0.000  1.0
  Mn  Mn19  1  1.000  0.680  0.613  1.0
  Mn  Mn20  1  0.680  1.000  0.613  1.0
  Mn  Mn21  1  0.323  0.323  0.289  1.0
  Mn  Mn22  1  0.000  0.387  0.320  1.0
  Mn  Mn23  1  0.320  0.704  0.680  1.0
  Mn  Mn24  1  0.677  0.388  0.000  1.0
  Mn  Mn25  1  0.362  0.362  0.639  1.0
  Mn  Mn26  1  0.638  0.999  0.000  1.0
  Mn  Mn27  1  0.000  0.000  0.361  1.0
  Mn  Mn28  1  0.999  0.638  0.000  1.0
  H  H29  1  1.000  0.460  0.540  1.0
  H  H30  1  0.460  1.000  0.540  1.0
[/CIF]
.