The material structure described by Rb2MgH8(CO5)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(2) and one O(3) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Mg(1), and one C(1) atom. In the second O site, O(5) is bonded in a 4-coordinate geometry to one Rb(1), one C(1), one H(2), and one H(3) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to one Mg(1), one H(1), and one H(2) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Rb(1), one C(1), one H(1), and one H(4) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Rb(1), one Mg(1), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2MgH8(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   7.163
_cell_length_c   12.353
_cell_angle_alpha   64.955
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.830
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.648  0.248  0.176  1.0
  Rb  Rb1  1  0.148  0.752  0.324  1.0
  Rb  Rb2  1  0.352  0.752  0.824  1.0
  Rb  Rb3  1  0.852  0.248  0.676  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  H  H6  1  0.680  0.293  0.914  1.0
  H  H7  1  0.180  0.707  0.586  1.0
  H  H8  1  0.320  0.707  0.086  1.0
  H  H9  1  0.820  0.293  0.414  1.0
  H  H10  1  0.885  0.426  0.878  1.0
  H  H11  1  0.385  0.574  0.622  1.0
  H  H12  1  0.655  0.800  0.365  1.0
  H  H13  1  0.155  0.200  0.135  1.0
  H  H14  1  0.345  0.200  0.635  1.0
  H  H15  1  0.615  0.426  0.378  1.0
  H  H16  1  0.706  0.801  0.978  1.0
  H  H17  1  0.206  0.199  0.522  1.0
  H  H18  1  0.294  0.199  0.022  1.0
  H  H19  1  0.794  0.801  0.478  1.0
  H  H20  1  0.115  0.574  0.122  1.0
  H  H21  1  0.845  0.800  0.865  1.0
  C  C22  1  0.651  0.753  0.175  1.0
  C  C23  1  0.849  0.753  0.675  1.0
  C  C24  1  0.349  0.247  0.825  1.0
  C  C25  1  0.151  0.247  0.325  1.0
  O  O26  1  0.168  0.714  0.070  1.0
  O  O27  1  0.574  0.692  0.097  1.0
  O  O28  1  0.699  0.885  0.408  1.0
  O  O29  1  0.199  0.115  0.092  1.0
  O  O30  1  0.301  0.115  0.592  1.0
  O  O31  1  0.801  0.885  0.908  1.0
  O  O32  1  0.668  0.286  0.430  1.0
  O  O33  1  0.074  0.308  0.403  1.0
  O  O34  1  0.332  0.714  0.570  1.0
  O  O35  1  0.832  0.286  0.930  1.0
  O  O36  1  0.802  0.882  0.145  1.0
  O  O37  1  0.302  0.118  0.355  1.0
  O  O38  1  0.198  0.118  0.855  1.0
  O  O39  1  0.698  0.882  0.645  1.0
  O  O40  1  0.074  0.317  0.218  1.0
  O  O41  1  0.426  0.317  0.718  1.0
  O  O42  1  0.926  0.692  0.597  1.0
  O  O43  1  0.574  0.683  0.282  1.0
  O  O44  1  0.426  0.308  0.903  1.0
  O  O45  1  0.926  0.683  0.782  1.0
[/CIF]
.
The material structure described by Rb2MgH8(CO5)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(2) and one O(3) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Mg(1), and one C(1) atom. In the second O site, O(5) is bonded in a 4-coordinate geometry to one Rb(1), one C(1), one H(2), and one H(3) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to one Mg(1), one H(1), and one H(2) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Rb(1), one C(1), one H(1), and one H(4) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Rb(1), one Mg(1), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2MgH8(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   7.163
_cell_length_c   12.353
_cell_angle_alpha   64.955
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.830
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.648  0.248  0.176  1.0
  Rb  Rb1  1  0.148  0.752  0.324  1.0
  Rb  Rb2  1  0.352  0.752  0.824  1.0
  Rb  Rb3  1  0.852  0.248  0.676  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  H  H6  1  0.680  0.293  0.914  1.0
  H  H7  1  0.180  0.707  0.586  1.0
  H  H8  1  0.320  0.707  0.086  1.0
  H  H9  1  0.820  0.293  0.414  1.0
  H  H10  1  0.885  0.426  0.878  1.0
  H  H11  1  0.385  0.574  0.622  1.0
  H  H12  1  0.655  0.800  0.365  1.0
  H  H13  1  0.155  0.200  0.135  1.0
  H  H14  1  0.345  0.200  0.635  1.0
  H  H15  1  0.615  0.426  0.378  1.0
  H  H16  1  0.706  0.801  0.978  1.0
  H  H17  1  0.206  0.199  0.522  1.0
  H  H18  1  0.294  0.199  0.022  1.0
  H  H19  1  0.794  0.801  0.478  1.0
  H  H20  1  0.115  0.574  0.122  1.0
  H  H21  1  0.845  0.800  0.865  1.0
  C  C22  1  0.651  0.753  0.175  1.0
  C  C23  1  0.849  0.753  0.675  1.0
  C  C24  1  0.349  0.247  0.825  1.0
  C  C25  1  0.151  0.247  0.325  1.0
  O  O26  1  0.168  0.714  0.070  1.0
  O  O27  1  0.574  0.692  0.097  1.0
  O  O28  1  0.699  0.885  0.408  1.0
  O  O29  1  0.199  0.115  0.092  1.0
  O  O30  1  0.301  0.115  0.592  1.0
  O  O31  1  0.801  0.885  0.908  1.0
  O  O32  1  0.668  0.286  0.430  1.0
  O  O33  1  0.074  0.308  0.403  1.0
  O  O34  1  0.332  0.714  0.570  1.0
  O  O35  1  0.832  0.286  0.930  1.0
  O  O36  1  0.802  0.882  0.145  1.0
  O  O37  1  0.302  0.118  0.355  1.0
  O  O38  1  0.198  0.118  0.855  1.0
  O  O39  1  0.698  0.882  0.645  1.0
  O  O40  1  0.074  0.317  0.218  1.0
  O  O41  1  0.426  0.317  0.718  1.0
  O  O42  1  0.926  0.692  0.597  1.0
  O  O43  1  0.574  0.683  0.282  1.0
  O  O44  1  0.426  0.308  0.903  1.0
  O  O45  1  0.926  0.683  0.782  1.0
[/CIF]
.