The crystal structure described by KCa2P4H11O18 crystallizes in the triclinic P1 space group. K(1) is bonded in a 6-coordinate geometry to one H(10), one O(1), one O(13), one O(18), one O(5), and one O(8) atom. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(15), one O(17), one O(2), one O(3), one O(6), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(16), one O(17), one O(2), one O(4), one O(7), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(18), one O(3), one O(5), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(14), one O(2), one O(7), and one O(9) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(10), one O(12), one O(17), and one O(6) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(1), one O(11), one O(13), and one O(16) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(18) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) 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 linear geometry to one O(11) and one O(8) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(12) and one O(3) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(6) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(14) atom. In the eighth H site, H(8) is bonded in a linear geometry to one O(16) and one O(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(15) atom. In the tenth H site, H(10) is bonded in a linear geometry to one K(1), one O(13), and one O(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(15) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(4), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one P(1), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Ca(2), one H(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(10) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(3), and one H(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one P(2), and one H(8) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(4) and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(3), and one H(5) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(4), and one H(10) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one P(2), and one H(7) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one Ca(1), one H(11), and one H(9) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one P(4), and one H(8) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(1) atom. is represented by the CIF file [CIF]
data_KCa2P4H11O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.701
_cell_length_b   6.354
_cell_length_c   12.286
_cell_angle_alpha   103.516
_cell_angle_beta   84.387
_cell_angle_gamma   115.002
_symmetry_Int_Tables_number   1
_cell_volume   392.136
_cell_formula_units_Z   1
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
  K  K0  1  0.511  0.014  0.466  1.0
  Ca  Ca1  1  0.997  0.294  0.095  1.0
  Ca  Ca2  1  0.003  0.699  0.895  1.0
  P  P3  1  0.858  0.627  0.362  1.0
  P  P4  1  0.499  0.209  0.900  1.0
  P  P5  1  0.505  0.788  0.090  1.0
  P  P6  1  0.166  0.383  0.634  1.0
  H  H7  1  0.011  0.501  0.498  1.0
  H  H8  1  0.969  0.936  0.700  1.0
  H  H9  1  0.734  0.688  0.692  1.0
  H  H10  1  0.523  0.502  0.488  1.0
  H  H11  1  0.634  0.592  0.188  1.0
  H  H12  1  0.376  0.070  0.192  1.0
  H  H13  1  0.624  0.933  0.792  1.0
  H  H14  1  0.368  0.410  0.807  1.0
  H  H15  1  0.262  0.311  0.301  1.0
  H  H16  1  0.024  0.019  0.516  1.0
  H  H17  1  0.043  0.057  0.297  1.0
  O  O18  1  0.949  0.408  0.577  1.0
  O  O19  1  0.752  0.317  0.964  1.0
  O  O20  1  0.859  0.558  0.234  1.0
  O  O21  1  0.850  0.828  0.747  1.0
  O  O22  1  0.903  0.893  0.402  1.0
  O  O23  1  0.534  0.035  0.171  1.0
  O  O24  1  0.534  0.402  0.831  1.0
  O  O25  1  0.581  0.461  0.402  1.0
  O  O26  1  0.246  0.138  0.964  1.0
  O  O27  1  0.762  0.856  0.029  1.0
  O  O28  1  0.439  0.537  0.596  1.0
  O  O29  1  0.470  0.605  0.166  1.0
  O  O30  1  0.117  0.106  0.593  1.0
  O  O31  1  0.465  0.967  0.813  1.0
  O  O32  1  0.153  0.167  0.248  1.0
  O  O33  1  0.141  0.428  0.761  1.0
  O  O34  1  0.255  0.673  0.024  1.0
  O  O35  1  0.069  0.589  0.416  1.0
[/CIF]
.
The crystal structure described by KCa2P4H11O18 crystallizes in the triclinic P1 space group. K(1) is bonded in a 6-coordinate geometry to one H(10), one O(1), one O(13), one O(18), one O(5), and one O(8) atom. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(15), one O(17), one O(2), one O(3), one O(6), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(16), one O(17), one O(2), one O(4), one O(7), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(18), one O(3), one O(5), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(14), one O(2), one O(7), and one O(9) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(10), one O(12), one O(17), and one O(6) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(1), one O(11), one O(13), and one O(16) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(18) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) 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 linear geometry to one O(11) and one O(8) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(12) and one O(3) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(6) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(14) atom. In the eighth H site, H(8) is bonded in a linear geometry to one O(16) and one O(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(15) atom. In the tenth H site, H(10) is bonded in a linear geometry to one K(1), one O(13), and one O(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(15) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(4), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one P(1), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Ca(2), one H(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(10) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(3), and one H(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one P(2), and one H(8) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(4) and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(3), and one H(5) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(4), and one H(10) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one P(2), and one H(7) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one Ca(1), one H(11), and one H(9) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one P(4), and one H(8) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(1) atom. is represented by the CIF file [CIF]
data_KCa2P4H11O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.701
_cell_length_b   6.354
_cell_length_c   12.286
_cell_angle_alpha   103.516
_cell_angle_beta   84.387
_cell_angle_gamma   115.002
_symmetry_Int_Tables_number   1
_cell_volume   392.136
_cell_formula_units_Z   1
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
  K  K0  1  0.511  0.014  0.466  1.0
  Ca  Ca1  1  0.997  0.294  0.095  1.0
  Ca  Ca2  1  0.003  0.699  0.895  1.0
  P  P3  1  0.858  0.627  0.362  1.0
  P  P4  1  0.499  0.209  0.900  1.0
  P  P5  1  0.505  0.788  0.090  1.0
  P  P6  1  0.166  0.383  0.634  1.0
  H  H7  1  0.011  0.501  0.498  1.0
  H  H8  1  0.969  0.936  0.700  1.0
  H  H9  1  0.734  0.688  0.692  1.0
  H  H10  1  0.523  0.502  0.488  1.0
  H  H11  1  0.634  0.592  0.188  1.0
  H  H12  1  0.376  0.070  0.192  1.0
  H  H13  1  0.624  0.933  0.792  1.0
  H  H14  1  0.368  0.410  0.807  1.0
  H  H15  1  0.262  0.311  0.301  1.0
  H  H16  1  0.024  0.019  0.516  1.0
  H  H17  1  0.043  0.057  0.297  1.0
  O  O18  1  0.949  0.408  0.577  1.0
  O  O19  1  0.752  0.317  0.964  1.0
  O  O20  1  0.859  0.558  0.234  1.0
  O  O21  1  0.850  0.828  0.747  1.0
  O  O22  1  0.903  0.893  0.402  1.0
  O  O23  1  0.534  0.035  0.171  1.0
  O  O24  1  0.534  0.402  0.831  1.0
  O  O25  1  0.581  0.461  0.402  1.0
  O  O26  1  0.246  0.138  0.964  1.0
  O  O27  1  0.762  0.856  0.029  1.0
  O  O28  1  0.439  0.537  0.596  1.0
  O  O29  1  0.470  0.605  0.166  1.0
  O  O30  1  0.117  0.106  0.593  1.0
  O  O31  1  0.465  0.967  0.813  1.0
  O  O32  1  0.153  0.167  0.248  1.0
  O  O33  1  0.141  0.428  0.761  1.0
  O  O34  1  0.255  0.673  0.024  1.0
  O  O35  1  0.069  0.589  0.416  1.0
[/CIF]
.