The material described by CaCH12O9 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CaCH12O9 clusters. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one Ca(1), one H(3), and one H(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1) and one C(1) atom. In the third O site, O(5) is bonded in a water-like geometry to one Ca(1), one H(5), and one H(6) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_CaH12CO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.075
_cell_length_b   6.075
_cell_length_c   10.986
_cell_angle_alpha   76.259
_cell_angle_beta   76.259
_cell_angle_gamma   86.564
_symmetry_Int_Tables_number   1
_cell_volume   382.619
_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
  Ca  Ca0  1  0.859  0.141  0.250  1.0
  Ca  Ca1  1  0.141  0.859  0.750  1.0
  H  H2  1  0.742  0.120  0.999  1.0
  H  H3  1  0.880  0.258  0.501  1.0
  H  H4  1  0.258  0.880  0.001  1.0
  H  H5  1  0.120  0.742  0.499  1.0
  H  H6  1  0.514  0.180  0.093  1.0
  H  H7  1  0.820  0.486  0.407  1.0
  H  H8  1  0.486  0.820  0.907  1.0
  H  H9  1  0.180  0.514  0.593  1.0
  H  H10  1  0.537  0.727  0.350  1.0
  H  H11  1  0.273  0.463  0.150  1.0
  H  H12  1  0.463  0.273  0.650  1.0
  H  H13  1  0.727  0.537  0.850  1.0
  H  H14  1  0.604  0.778  0.473  1.0
  H  H15  1  0.222  0.396  0.027  1.0
  H  H16  1  0.396  0.222  0.527  1.0
  H  H17  1  0.778  0.604  0.973  1.0
  H  H18  1  0.339  0.100  0.357  1.0
  H  H19  1  0.900  0.661  0.143  1.0
  H  H20  1  0.661  0.900  0.643  1.0
  H  H21  1  0.100  0.339  0.857  1.0
  H  H22  1  0.387  0.362  0.333  1.0
  H  H23  1  0.638  0.613  0.167  1.0
  H  H24  1  0.613  0.638  0.667  1.0
  H  H25  1  0.362  0.387  0.833  1.0
  C  C26  1  0.203  0.797  0.250  1.0
  C  C27  1  0.797  0.203  0.750  1.0
  O  O28  1  0.359  0.641  0.250  1.0
  O  O29  1  0.641  0.359  0.750  1.0
  O  O30  1  0.093  0.847  0.159  1.0
  O  O31  1  0.153  0.907  0.341  1.0
  O  O32  1  0.907  0.153  0.841  1.0
  O  O33  1  0.847  0.093  0.659  1.0
  O  O34  1  0.662  0.103  0.091  1.0
  O  O35  1  0.897  0.338  0.409  1.0
  O  O36  1  0.338  0.897  0.909  1.0
  O  O37  1  0.103  0.662  0.591  1.0
  O  O38  1  0.666  0.761  0.383  1.0
  O  O39  1  0.239  0.334  0.117  1.0
  O  O40  1  0.334  0.239  0.617  1.0
  O  O41  1  0.761  0.666  0.883  1.0
  O  O42  1  0.447  0.210  0.365  1.0
  O  O43  1  0.790  0.553  0.135  1.0
  O  O44  1  0.553  0.790  0.635  1.0
  O  O45  1  0.210  0.447  0.865  1.0
[/CIF]
.
The material described by CaCH12O9 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CaCH12O9 clusters. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one Ca(1), one H(3), and one H(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1) and one C(1) atom. In the third O site, O(5) is bonded in a water-like geometry to one Ca(1), one H(5), and one H(6) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_CaH12CO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.075
_cell_length_b   6.075
_cell_length_c   10.986
_cell_angle_alpha   76.259
_cell_angle_beta   76.259
_cell_angle_gamma   86.564
_symmetry_Int_Tables_number   1
_cell_volume   382.619
_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
  Ca  Ca0  1  0.859  0.141  0.250  1.0
  Ca  Ca1  1  0.141  0.859  0.750  1.0
  H  H2  1  0.742  0.120  0.999  1.0
  H  H3  1  0.880  0.258  0.501  1.0
  H  H4  1  0.258  0.880  0.001  1.0
  H  H5  1  0.120  0.742  0.499  1.0
  H  H6  1  0.514  0.180  0.093  1.0
  H  H7  1  0.820  0.486  0.407  1.0
  H  H8  1  0.486  0.820  0.907  1.0
  H  H9  1  0.180  0.514  0.593  1.0
  H  H10  1  0.537  0.727  0.350  1.0
  H  H11  1  0.273  0.463  0.150  1.0
  H  H12  1  0.463  0.273  0.650  1.0
  H  H13  1  0.727  0.537  0.850  1.0
  H  H14  1  0.604  0.778  0.473  1.0
  H  H15  1  0.222  0.396  0.027  1.0
  H  H16  1  0.396  0.222  0.527  1.0
  H  H17  1  0.778  0.604  0.973  1.0
  H  H18  1  0.339  0.100  0.357  1.0
  H  H19  1  0.900  0.661  0.143  1.0
  H  H20  1  0.661  0.900  0.643  1.0
  H  H21  1  0.100  0.339  0.857  1.0
  H  H22  1  0.387  0.362  0.333  1.0
  H  H23  1  0.638  0.613  0.167  1.0
  H  H24  1  0.613  0.638  0.667  1.0
  H  H25  1  0.362  0.387  0.833  1.0
  C  C26  1  0.203  0.797  0.250  1.0
  C  C27  1  0.797  0.203  0.750  1.0
  O  O28  1  0.359  0.641  0.250  1.0
  O  O29  1  0.641  0.359  0.750  1.0
  O  O30  1  0.093  0.847  0.159  1.0
  O  O31  1  0.153  0.907  0.341  1.0
  O  O32  1  0.907  0.153  0.841  1.0
  O  O33  1  0.847  0.093  0.659  1.0
  O  O34  1  0.662  0.103  0.091  1.0
  O  O35  1  0.897  0.338  0.409  1.0
  O  O36  1  0.338  0.897  0.909  1.0
  O  O37  1  0.103  0.662  0.591  1.0
  O  O38  1  0.666  0.761  0.383  1.0
  O  O39  1  0.239  0.334  0.117  1.0
  O  O40  1  0.334  0.239  0.617  1.0
  O  O41  1  0.761  0.666  0.883  1.0
  O  O42  1  0.447  0.210  0.365  1.0
  O  O43  1  0.790  0.553  0.135  1.0
  O  O44  1  0.553  0.790  0.635  1.0
  O  O45  1  0.210  0.447  0.865  1.0
[/CIF]
.