The material described by Ca(H8O5)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(20), one O(5), one O(6), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), and one O(16) atom. There are thirty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. In the sixth H site, H(6) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(8) is bonded in a linear geometry to one O(7) and one O(8) atom. In the ninth H site, H(9) is bonded in a bent 150 degrees geometry to one O(2) and one O(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(9) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(10) atom. In the twelfth H site, H(12) is bonded in a linear geometry to one O(10) and one O(9) atom. In the thirteenth H site, H(13) is bonded in a distorted linear geometry to one O(11) and one O(2) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(11) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(12) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(12) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(13) atom. In the eighteenth H site, H(18) is bonded in a linear geometry to one O(13) and one O(3) atom. In the nineteenth H site, H(19) is bonded in a distorted linear geometry to one O(14) and one O(3) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(14) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one O(15) and one O(3) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one O(15) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one O(16) atom. In the twenty-fourth H site, H(24) is bonded in a linear geometry to one O(16) and one O(7) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one O(17) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one O(17) and one O(4) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one O(18) atom. In the twenty-eighth H site, H(28) is bonded in a linear geometry to one O(18) and one O(9) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one O(19) atom. In the thirtieth H site, H(30) is bonded in a distorted linear geometry to one O(19) and one O(4) atom. In the thirty-first H site, H(31) is bonded in a linear geometry to one O(20) and one O(4) atom. In the thirty-second H site, H(32) is bonded in a single-bond geometry to one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one H(6) and one O(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one H(13), one H(9), and one O(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one H(18), one H(19), one H(21), and one O(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one H(26), one H(30), one H(31), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ca(1), one H(3), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one H(24), one H(5), one H(6), and one H(8) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ca(1), one H(7), and one H(8) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one H(10), one H(12), one H(28), and one H(9) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Ca(2), one H(11), and one H(12) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Ca(2), one H(13), and one H(14) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Ca(2), one H(15), and one H(16) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Ca(2), one H(17), and one H(18) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one H(19), and one H(20) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Ca(2), one H(21), and one H(22) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Ca(2), one H(23), and one H(24) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one Ca(1), one H(25), and one H(26) atom. In the eighteenth O site, O(18) is bonded in a water-like geometry to one Ca(1), one H(27), and one H(28) atom. In the nineteenth O site, O(19) is bonded in a distorted water-like geometry to one Ca(1), one H(29), and one H(30) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one H(31), and one H(32) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(H8O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.515
_cell_length_b   6.538
_cell_length_c   11.243
_cell_angle_alpha   83.864
_cell_angle_beta   83.136
_cell_angle_gamma   81.497
_symmetry_Int_Tables_number   1
_cell_volume   468.234
_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  0.028  0.015  0.757  1.0
  Ca  Ca1  1  0.020  0.043  0.262  1.0
  H  H2  1  0.270  0.644  0.651  1.0
  H  H3  1  0.129  0.720  0.547  1.0
  H  H4  1  0.721  0.364  0.647  1.0
  H  H5  1  0.857  0.280  0.531  1.0
  H  H6  1  0.711  0.010  0.614  1.0
  H  H7  1  0.584  0.690  0.669  1.0
  H  H8  1  0.316  0.263  0.624  1.0
  H  H9  1  0.450  0.016  0.608  1.0
  H  H10  1  0.685  0.583  0.165  1.0
  H  H11  1  0.989  0.715  0.118  1.0
  H  H12  1  0.267  0.332  0.122  1.0
  H  H13  1  0.018  0.449  0.106  1.0
  H  H14  1  0.358  0.721  0.150  1.0
  H  H15  1  0.265  0.855  0.039  1.0
  H  H16  1  0.646  0.268  0.150  1.0
  H  H17  1  0.719  0.120  0.049  1.0
  H  H18  1  0.956  0.412  0.348  1.0
  H  H19  1  0.702  0.404  0.353  1.0
  H  H20  1  0.276  0.623  0.356  1.0
  H  H21  1  0.015  0.669  0.381  1.0
  H  H22  1  0.376  0.266  0.340  1.0
  H  H23  1  0.283  0.133  0.454  1.0
  H  H24  1  0.612  0.873  0.339  1.0
  H  H25  1  0.693  0.873  0.466  1.0
  H  H26  1  0.130  0.286  0.951  1.0
  H  H27  1  0.260  0.382  0.837  1.0
  H  H28  1  0.847  0.616  0.835  1.0
  H  H29  1  0.864  0.694  0.962  1.0
  H  H30  1  0.642  0.031  0.871  1.0
  H  H31  1  0.611  0.289  0.855  1.0
  H  H32  1  0.389  0.725  0.858  1.0
  H  H33  1  0.362  0.986  0.867  1.0
  O  O34  1  0.526  0.548  0.686  1.0
  O  O35  1  0.540  0.525  0.183  1.0
  O  O36  1  0.496  0.488  0.316  1.0
  O  O37  1  0.480  0.510  0.818  1.0
  O  O38  1  0.127  0.712  0.636  1.0
  O  O39  1  0.831  0.249  0.620  1.0
  O  O40  1  0.625  0.902  0.603  1.0
  O  O41  1  0.290  0.125  0.610  1.0
  O  O42  1  0.892  0.622  0.100  1.0
  O  O43  1  0.131  0.297  0.111  1.0
  O  O44  1  0.241  0.831  0.128  1.0
  O  O45  1  0.718  0.126  0.136  1.0
  O  O46  1  0.849  0.325  0.377  1.0
  O  O47  1  0.147  0.721  0.387  1.0
  O  O48  1  0.291  0.149  0.364  1.0
  O  O49  1  0.741  0.859  0.377  1.0
  O  O50  1  0.153  0.286  0.861  1.0
  O  O51  1  0.847  0.743  0.873  1.0
  O  O52  1  0.705  0.154  0.881  1.0
  O  O53  1  0.295  0.860  0.885  1.0
[/CIF]
.
The material described by Ca(H8O5)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(20), one O(5), one O(6), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), and one O(16) atom. There are thirty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. In the sixth H site, H(6) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(8) is bonded in a linear geometry to one O(7) and one O(8) atom. In the ninth H site, H(9) is bonded in a bent 150 degrees geometry to one O(2) and one O(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(9) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(10) atom. In the twelfth H site, H(12) is bonded in a linear geometry to one O(10) and one O(9) atom. In the thirteenth H site, H(13) is bonded in a distorted linear geometry to one O(11) and one O(2) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(11) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(12) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(12) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(13) atom. In the eighteenth H site, H(18) is bonded in a linear geometry to one O(13) and one O(3) atom. In the nineteenth H site, H(19) is bonded in a distorted linear geometry to one O(14) and one O(3) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(14) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one O(15) and one O(3) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one O(15) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one O(16) atom. In the twenty-fourth H site, H(24) is bonded in a linear geometry to one O(16) and one O(7) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one O(17) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one O(17) and one O(4) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one O(18) atom. In the twenty-eighth H site, H(28) is bonded in a linear geometry to one O(18) and one O(9) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one O(19) atom. In the thirtieth H site, H(30) is bonded in a distorted linear geometry to one O(19) and one O(4) atom. In the thirty-first H site, H(31) is bonded in a linear geometry to one O(20) and one O(4) atom. In the thirty-second H site, H(32) is bonded in a single-bond geometry to one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one H(6) and one O(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one H(13), one H(9), and one O(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one H(18), one H(19), one H(21), and one O(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one H(26), one H(30), one H(31), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ca(1), one H(3), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one H(24), one H(5), one H(6), and one H(8) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ca(1), one H(7), and one H(8) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one H(10), one H(12), one H(28), and one H(9) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Ca(2), one H(11), and one H(12) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Ca(2), one H(13), and one H(14) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Ca(2), one H(15), and one H(16) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Ca(2), one H(17), and one H(18) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one H(19), and one H(20) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Ca(2), one H(21), and one H(22) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Ca(2), one H(23), and one H(24) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one Ca(1), one H(25), and one H(26) atom. In the eighteenth O site, O(18) is bonded in a water-like geometry to one Ca(1), one H(27), and one H(28) atom. In the nineteenth O site, O(19) is bonded in a distorted water-like geometry to one Ca(1), one H(29), and one H(30) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one H(31), and one H(32) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(H8O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.515
_cell_length_b   6.538
_cell_length_c   11.243
_cell_angle_alpha   83.864
_cell_angle_beta   83.136
_cell_angle_gamma   81.497
_symmetry_Int_Tables_number   1
_cell_volume   468.234
_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  0.028  0.015  0.757  1.0
  Ca  Ca1  1  0.020  0.043  0.262  1.0
  H  H2  1  0.270  0.644  0.651  1.0
  H  H3  1  0.129  0.720  0.547  1.0
  H  H4  1  0.721  0.364  0.647  1.0
  H  H5  1  0.857  0.280  0.531  1.0
  H  H6  1  0.711  0.010  0.614  1.0
  H  H7  1  0.584  0.690  0.669  1.0
  H  H8  1  0.316  0.263  0.624  1.0
  H  H9  1  0.450  0.016  0.608  1.0
  H  H10  1  0.685  0.583  0.165  1.0
  H  H11  1  0.989  0.715  0.118  1.0
  H  H12  1  0.267  0.332  0.122  1.0
  H  H13  1  0.018  0.449  0.106  1.0
  H  H14  1  0.358  0.721  0.150  1.0
  H  H15  1  0.265  0.855  0.039  1.0
  H  H16  1  0.646  0.268  0.150  1.0
  H  H17  1  0.719  0.120  0.049  1.0
  H  H18  1  0.956  0.412  0.348  1.0
  H  H19  1  0.702  0.404  0.353  1.0
  H  H20  1  0.276  0.623  0.356  1.0
  H  H21  1  0.015  0.669  0.381  1.0
  H  H22  1  0.376  0.266  0.340  1.0
  H  H23  1  0.283  0.133  0.454  1.0
  H  H24  1  0.612  0.873  0.339  1.0
  H  H25  1  0.693  0.873  0.466  1.0
  H  H26  1  0.130  0.286  0.951  1.0
  H  H27  1  0.260  0.382  0.837  1.0
  H  H28  1  0.847  0.616  0.835  1.0
  H  H29  1  0.864  0.694  0.962  1.0
  H  H30  1  0.642  0.031  0.871  1.0
  H  H31  1  0.611  0.289  0.855  1.0
  H  H32  1  0.389  0.725  0.858  1.0
  H  H33  1  0.362  0.986  0.867  1.0
  O  O34  1  0.526  0.548  0.686  1.0
  O  O35  1  0.540  0.525  0.183  1.0
  O  O36  1  0.496  0.488  0.316  1.0
  O  O37  1  0.480  0.510  0.818  1.0
  O  O38  1  0.127  0.712  0.636  1.0
  O  O39  1  0.831  0.249  0.620  1.0
  O  O40  1  0.625  0.902  0.603  1.0
  O  O41  1  0.290  0.125  0.610  1.0
  O  O42  1  0.892  0.622  0.100  1.0
  O  O43  1  0.131  0.297  0.111  1.0
  O  O44  1  0.241  0.831  0.128  1.0
  O  O45  1  0.718  0.126  0.136  1.0
  O  O46  1  0.849  0.325  0.377  1.0
  O  O47  1  0.147  0.721  0.387  1.0
  O  O48  1  0.291  0.149  0.364  1.0
  O  O49  1  0.741  0.859  0.377  1.0
  O  O50  1  0.153  0.286  0.861  1.0
  O  O51  1  0.847  0.743  0.873  1.0
  O  O52  1  0.705  0.154  0.881  1.0
  O  O53  1  0.295  0.860  0.885  1.0
[/CIF]
.