The material described by RbH(CO2)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), three equivalent O(2), and three equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. H(1) is bonded in a linear geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one C(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Rb(1), one C(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one C(2) atom. is represented by the CIF file [CIF]
data_RbH(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.845
_cell_length_b   4.322
_cell_length_c   7.721
_cell_angle_alpha   78.608
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   452.958
_cell_formula_units_Z   4
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  0.066  0.788  0.761  1.0
  Rb  Rb1  1  0.934  0.212  0.239  1.0
  Rb  Rb2  1  0.566  0.212  0.739  1.0
  Rb  Rb3  1  0.434  0.788  0.261  1.0
  H  H4  1  0.271  0.136  0.512  1.0
  H  H5  1  0.729  0.864  0.488  1.0
  H  H6  1  0.771  0.864  0.988  1.0
  H  H7  1  0.229  0.136  0.012  1.0
  C  C8  1  0.341  0.699  0.710  1.0
  C  C9  1  0.659  0.301  0.290  1.0
  C  C10  1  0.841  0.301  0.790  1.0
  C  C11  1  0.159  0.699  0.210  1.0
  C  C12  1  0.324  0.422  0.871  1.0
  C  C13  1  0.676  0.578  0.129  1.0
  C  C14  1  0.824  0.578  0.629  1.0
  C  C15  1  0.176  0.422  0.371  1.0
  O  O16  1  0.267  0.864  0.654  1.0
  O  O17  1  0.733  0.136  0.346  1.0
  O  O18  1  0.767  0.136  0.846  1.0
  O  O19  1  0.233  0.864  0.154  1.0
  O  O20  1  0.425  0.736  0.652  1.0
  O  O21  1  0.575  0.264  0.348  1.0
  O  O22  1  0.925  0.264  0.848  1.0
  O  O23  1  0.075  0.736  0.152  1.0
  O  O24  1  0.233  0.339  0.906  1.0
  O  O25  1  0.767  0.661  0.094  1.0
  O  O26  1  0.733  0.661  0.594  1.0
  O  O27  1  0.267  0.339  0.406  1.0
  O  O28  1  0.894  0.703  0.544  1.0
  O  O29  1  0.106  0.297  0.456  1.0
  O  O30  1  0.394  0.297  0.956  1.0
  O  O31  1  0.606  0.703  0.044  1.0
[/CIF]
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The material described by RbH(CO2)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), three equivalent O(2), and three equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. H(1) is bonded in a linear geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one C(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Rb(1), one C(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one C(2) atom. is represented by the CIF file [CIF]
data_RbH(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.845
_cell_length_b   4.322
_cell_length_c   7.721
_cell_angle_alpha   78.608
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   452.958
_cell_formula_units_Z   4
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  0.066  0.788  0.761  1.0
  Rb  Rb1  1  0.934  0.212  0.239  1.0
  Rb  Rb2  1  0.566  0.212  0.739  1.0
  Rb  Rb3  1  0.434  0.788  0.261  1.0
  H  H4  1  0.271  0.136  0.512  1.0
  H  H5  1  0.729  0.864  0.488  1.0
  H  H6  1  0.771  0.864  0.988  1.0
  H  H7  1  0.229  0.136  0.012  1.0
  C  C8  1  0.341  0.699  0.710  1.0
  C  C9  1  0.659  0.301  0.290  1.0
  C  C10  1  0.841  0.301  0.790  1.0
  C  C11  1  0.159  0.699  0.210  1.0
  C  C12  1  0.324  0.422  0.871  1.0
  C  C13  1  0.676  0.578  0.129  1.0
  C  C14  1  0.824  0.578  0.629  1.0
  C  C15  1  0.176  0.422  0.371  1.0
  O  O16  1  0.267  0.864  0.654  1.0
  O  O17  1  0.733  0.136  0.346  1.0
  O  O18  1  0.767  0.136  0.846  1.0
  O  O19  1  0.233  0.864  0.154  1.0
  O  O20  1  0.425  0.736  0.652  1.0
  O  O21  1  0.575  0.264  0.348  1.0
  O  O22  1  0.925  0.264  0.848  1.0
  O  O23  1  0.075  0.736  0.152  1.0
  O  O24  1  0.233  0.339  0.906  1.0
  O  O25  1  0.767  0.661  0.094  1.0
  O  O26  1  0.733  0.661  0.594  1.0
  O  O27  1  0.267  0.339  0.406  1.0
  O  O28  1  0.894  0.703  0.544  1.0
  O  O29  1  0.106  0.297  0.456  1.0
  O  O30  1  0.394  0.297  0.956  1.0
  O  O31  1  0.606  0.703  0.044  1.0
[/CIF]
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