The compound described by Ca2P4NH11O18 crystallizes in the triclinic P1 space group. 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(11), one O(14), one O(15), one O(16), one O(6), one O(8), 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(12), one O(13), one O(15), one O(16), one O(5), 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(15), one O(5), one O(7), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(16), one O(6), and one O(8) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(17), and one O(3) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(14), one O(18), one O(2), and one O(4) atom. N(1) is bonded in a single-bond geometry to one O(3) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(12) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(12) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(11) and one O(6) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(17) and one O(18) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(12) atom. In the ninth H site, H(9) is bonded in a linear geometry to one O(13) and one O(7) atom. In the tenth H site, H(10) is bonded in a linear geometry to one O(14) and one O(8) atom. In the eleventh H site, H(11) is bonded in a linear geometry to one O(1) and one O(2) 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 P(3) and one H(11) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(4) and one H(11) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(3) and one N(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(4) and one H(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one P(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one P(1), and one H(9) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(2), and one H(10) 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(1) 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(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Ca(1), one H(1), one H(4), and one H(7) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Ca(2), one H(2), one H(3), and one H(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one P(3), and one H(9) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one P(4), and one H(10) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(3) and one H(5) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(4) and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2P4H11NO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.556
_cell_length_b   6.165
_cell_length_c   12.597
_cell_angle_alpha   76.427
_cell_angle_beta   84.114
_cell_angle_gamma   66.342
_symmetry_Int_Tables_number   1
_cell_volume   384.165
_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
  Ca  Ca0  1  0.008  0.291  0.900  1.0
  Ca  Ca1  1  0.999  0.695  0.100  1.0
  P  P2  1  0.503  0.205  0.094  1.0
  P  P3  1  0.503  0.785  0.904  1.0
  P  P4  1  0.801  0.411  0.362  1.0
  P  P5  1  0.152  0.613  0.639  1.0
  H  H6  1  0.969  0.065  0.706  1.0
  H  H7  1  0.026  0.942  0.285  1.0
  H  H8  1  0.378  0.922  0.199  1.0
  H  H9  1  0.626  0.072  0.798  1.0
  H  H10  1  0.983  0.494  0.506  1.0
  H  H11  1  0.032  0.975  0.530  1.0
  H  H12  1  0.756  0.322  0.699  1.0
  H  H13  1  0.265  0.694  0.306  1.0
  H  H14  1  0.623  0.407  0.191  1.0
  H  H15  1  0.379  0.586  0.808  1.0
  H  H16  1  0.469  0.507  0.516  1.0
  N  N17  1  0.638  0.049  0.410  1.0
  O  O18  1  0.524  0.548  0.395  1.0
  O  O19  1  0.435  0.472  0.599  1.0
  O  O20  1  0.844  0.109  0.408  1.0
  O  O21  1  0.100  0.894  0.604  1.0
  O  O22  1  0.539  0.954  0.173  1.0
  O  O23  1  0.468  0.035  0.825  1.0
  O  O24  1  0.461  0.397  0.165  1.0
  O  O25  1  0.542  0.595  0.833  1.0
  O  O26  1  0.252  0.312  0.031  1.0
  O  O27  1  0.755  0.677  0.967  1.0
  O  O28  1  0.855  0.175  0.752  1.0
  O  O29  1  0.150  0.821  0.247  1.0
  O  O30  1  0.852  0.430  0.241  1.0
  O  O31  1  0.145  0.557  0.761  1.0
  O  O32  1  0.762  0.144  0.034  1.0
  O  O33  1  0.246  0.845  0.965  1.0
  O  O34  1  0.017  0.416  0.423  1.0
  O  O35  1  0.949  0.569  0.586  1.0
[/CIF]
.
The compound described by Ca2P4NH11O18 crystallizes in the triclinic P1 space group. 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(11), one O(14), one O(15), one O(16), one O(6), one O(8), 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(12), one O(13), one O(15), one O(16), one O(5), 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(15), one O(5), one O(7), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(16), one O(6), and one O(8) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(17), and one O(3) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(14), one O(18), one O(2), and one O(4) atom. N(1) is bonded in a single-bond geometry to one O(3) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(12) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(12) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(11) and one O(6) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(17) and one O(18) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(12) atom. In the ninth H site, H(9) is bonded in a linear geometry to one O(13) and one O(7) atom. In the tenth H site, H(10) is bonded in a linear geometry to one O(14) and one O(8) atom. In the eleventh H site, H(11) is bonded in a linear geometry to one O(1) and one O(2) 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 P(3) and one H(11) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(4) and one H(11) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(3) and one N(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(4) and one H(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one P(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one P(1), and one H(9) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(2), and one H(10) 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(1) 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(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Ca(1), one H(1), one H(4), and one H(7) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Ca(2), one H(2), one H(3), and one H(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one P(3), and one H(9) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one P(4), and one H(10) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(3) and one H(5) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(4) and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2P4H11NO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.556
_cell_length_b   6.165
_cell_length_c   12.597
_cell_angle_alpha   76.427
_cell_angle_beta   84.114
_cell_angle_gamma   66.342
_symmetry_Int_Tables_number   1
_cell_volume   384.165
_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
  Ca  Ca0  1  0.008  0.291  0.900  1.0
  Ca  Ca1  1  0.999  0.695  0.100  1.0
  P  P2  1  0.503  0.205  0.094  1.0
  P  P3  1  0.503  0.785  0.904  1.0
  P  P4  1  0.801  0.411  0.362  1.0
  P  P5  1  0.152  0.613  0.639  1.0
  H  H6  1  0.969  0.065  0.706  1.0
  H  H7  1  0.026  0.942  0.285  1.0
  H  H8  1  0.378  0.922  0.199  1.0
  H  H9  1  0.626  0.072  0.798  1.0
  H  H10  1  0.983  0.494  0.506  1.0
  H  H11  1  0.032  0.975  0.530  1.0
  H  H12  1  0.756  0.322  0.699  1.0
  H  H13  1  0.265  0.694  0.306  1.0
  H  H14  1  0.623  0.407  0.191  1.0
  H  H15  1  0.379  0.586  0.808  1.0
  H  H16  1  0.469  0.507  0.516  1.0
  N  N17  1  0.638  0.049  0.410  1.0
  O  O18  1  0.524  0.548  0.395  1.0
  O  O19  1  0.435  0.472  0.599  1.0
  O  O20  1  0.844  0.109  0.408  1.0
  O  O21  1  0.100  0.894  0.604  1.0
  O  O22  1  0.539  0.954  0.173  1.0
  O  O23  1  0.468  0.035  0.825  1.0
  O  O24  1  0.461  0.397  0.165  1.0
  O  O25  1  0.542  0.595  0.833  1.0
  O  O26  1  0.252  0.312  0.031  1.0
  O  O27  1  0.755  0.677  0.967  1.0
  O  O28  1  0.855  0.175  0.752  1.0
  O  O29  1  0.150  0.821  0.247  1.0
  O  O30  1  0.852  0.430  0.241  1.0
  O  O31  1  0.145  0.557  0.761  1.0
  O  O32  1  0.762  0.144  0.034  1.0
  O  O33  1  0.246  0.845  0.965  1.0
  O  O34  1  0.017  0.416  0.423  1.0
  O  O35  1  0.949  0.569  0.586  1.0
[/CIF]
.