The structure described by CaH2(CO2)2 crystallizes in the tetragonal P4_32_12 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ca(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CaH2(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.884
_cell_length_b   6.884
_cell_length_c   9.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.141
_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
  Ca  Ca0  1  0.786  0.786  0.000  1.0
  Ca  Ca1  1  0.714  0.286  0.750  1.0
  Ca  Ca2  1  0.214  0.214  0.500  1.0
  Ca  Ca3  1  0.286  0.714  0.250  1.0
  H  H4  1  0.130  0.672  0.674  1.0
  H  H5  1  0.370  0.172  0.076  1.0
  H  H6  1  0.172  0.370  0.924  1.0
  H  H7  1  0.630  0.828  0.576  1.0
  H  H8  1  0.328  0.870  0.826  1.0
  H  H9  1  0.828  0.630  0.424  1.0
  H  H10  1  0.672  0.130  0.326  1.0
  H  H11  1  0.870  0.328  0.174  1.0
  C  C12  1  0.296  0.810  0.931  1.0
  C  C13  1  0.810  0.296  0.069  1.0
  C  C14  1  0.796  0.690  0.319  1.0
  C  C15  1  0.690  0.796  0.681  1.0
  C  C16  1  0.310  0.204  0.181  1.0
  C  C17  1  0.704  0.190  0.431  1.0
  C  C18  1  0.204  0.310  0.819  1.0
  C  C19  1  0.190  0.704  0.569  1.0
  O  O20  1  0.378  0.281  0.785  1.0
  O  O21  1  0.061  0.277  0.737  1.0
  O  O22  1  0.777  0.439  0.987  1.0
  O  O23  1  0.281  0.378  0.215  1.0
  O  O24  1  0.219  0.878  0.535  1.0
  O  O25  1  0.561  0.223  0.513  1.0
  O  O26  1  0.878  0.219  0.465  1.0
  O  O27  1  0.277  0.061  0.263  1.0
  O  O28  1  0.622  0.719  0.285  1.0
  O  O29  1  0.223  0.561  0.487  1.0
  O  O30  1  0.122  0.781  0.965  1.0
  O  O31  1  0.723  0.939  0.763  1.0
  O  O32  1  0.781  0.122  0.035  1.0
  O  O33  1  0.719  0.622  0.715  1.0
  O  O34  1  0.439  0.777  0.013  1.0
  O  O35  1  0.939  0.723  0.237  1.0
[/CIF]
.
The structure described by CaH2(CO2)2 crystallizes in the tetragonal P4_32_12 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ca(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CaH2(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.884
_cell_length_b   6.884
_cell_length_c   9.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.141
_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
  Ca  Ca0  1  0.786  0.786  0.000  1.0
  Ca  Ca1  1  0.714  0.286  0.750  1.0
  Ca  Ca2  1  0.214  0.214  0.500  1.0
  Ca  Ca3  1  0.286  0.714  0.250  1.0
  H  H4  1  0.130  0.672  0.674  1.0
  H  H5  1  0.370  0.172  0.076  1.0
  H  H6  1  0.172  0.370  0.924  1.0
  H  H7  1  0.630  0.828  0.576  1.0
  H  H8  1  0.328  0.870  0.826  1.0
  H  H9  1  0.828  0.630  0.424  1.0
  H  H10  1  0.672  0.130  0.326  1.0
  H  H11  1  0.870  0.328  0.174  1.0
  C  C12  1  0.296  0.810  0.931  1.0
  C  C13  1  0.810  0.296  0.069  1.0
  C  C14  1  0.796  0.690  0.319  1.0
  C  C15  1  0.690  0.796  0.681  1.0
  C  C16  1  0.310  0.204  0.181  1.0
  C  C17  1  0.704  0.190  0.431  1.0
  C  C18  1  0.204  0.310  0.819  1.0
  C  C19  1  0.190  0.704  0.569  1.0
  O  O20  1  0.378  0.281  0.785  1.0
  O  O21  1  0.061  0.277  0.737  1.0
  O  O22  1  0.777  0.439  0.987  1.0
  O  O23  1  0.281  0.378  0.215  1.0
  O  O24  1  0.219  0.878  0.535  1.0
  O  O25  1  0.561  0.223  0.513  1.0
  O  O26  1  0.878  0.219  0.465  1.0
  O  O27  1  0.277  0.061  0.263  1.0
  O  O28  1  0.622  0.719  0.285  1.0
  O  O29  1  0.223  0.561  0.487  1.0
  O  O30  1  0.122  0.781  0.965  1.0
  O  O31  1  0.723  0.939  0.763  1.0
  O  O32  1  0.781  0.122  0.035  1.0
  O  O33  1  0.719  0.622  0.715  1.0
  O  O34  1  0.439  0.777  0.013  1.0
  O  O35  1  0.939  0.723  0.237  1.0
[/CIF]
.