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.
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. The Ca(1)-O(10) bond length is 2.52 Å. The Ca(1)-O(11) bond length is 2.48 Å. The Ca(1)-O(14) bond length is 2.39 Å. The Ca(1)-O(15) bond length is 2.32 Å. The Ca(1)-O(16) bond length is 2.49 Å. The Ca(1)-O(6) bond length is 2.62 Å. The Ca(1)-O(8) bond length is 2.60 Å. The Ca(1)-O(9) bond length is 2.30 Å. 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. The Ca(2)-O(10) bond length is 2.31 Å. The Ca(2)-O(12) bond length is 2.50 Å. The Ca(2)-O(13) bond length is 2.43 Å. The Ca(2)-O(15) bond length is 2.51 Å. The Ca(2)-O(16) bond length is 2.33 Å. The Ca(2)-O(5) bond length is 2.62 Å. The Ca(2)-O(7) bond length is 2.56 Å. The Ca(2)-O(9) bond length is 2.52 Å. 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. The P(1)-O(15) bond length is 1.50 Å. The P(1)-O(5) bond length is 1.58 Å. The P(1)-O(7) bond length is 1.58 Å. The P(1)-O(9) bond length is 1.50 Å. 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. The P(2)-O(10) bond length is 1.50 Å. The P(2)-O(16) bond length is 1.50 Å. The P(2)-O(6) bond length is 1.58 Å. The P(2)-O(8) bond length is 1.58 Å. 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. The P(3)-O(1) bond length is 1.50 Å. The P(3)-O(13) bond length is 1.51 Å. The P(3)-O(17) bond length is 1.50 Å. The P(3)-O(3) bond length is 1.74 Å. 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. The P(4)-O(14) bond length is 1.50 Å. The P(4)-O(18) bond length is 1.51 Å. The P(4)-O(2) bond length is 1.56 Å. The P(4)-O(4) bond length is 1.59 Å. N(1) is bonded in a single-bond geometry to one O(3) atom. The N(1)-O(3) bond length is 1.34 Å. 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. The H(1)-O(11) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(12) atom. The H(2)-O(12) bond length is 0.97 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(12) and one O(5) atom. The H(3)-O(12) bond length is 1.63 Å. The H(3)-O(5) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(11) and one O(6) atom. The H(4)-O(11) bond length is 1.63 Å. The H(4)-O(6) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a linear geometry to one O(17) and one O(18) atom. The H(5)-O(17) bond length is 1.22 Å. The H(5)-O(18) bond length is 1.17 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. The H(6)-O(4) bond length is 0.98 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(11) atom. The H(7)-O(11) bond length is 0.98 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(12) atom. The H(8)-O(12) bond length is 0.99 Å. In the ninth H site, H(9) is bonded in a linear geometry to one O(13) and one O(7) atom. The H(9)-O(13) bond length is 1.55 Å. The H(9)-O(7) bond length is 1.01 Å. In the tenth H site, H(10) is bonded in a linear geometry to one O(14) and one O(8) atom. The H(10)-O(14) bond length is 1.57 Å. The H(10)-O(8) bond length is 1.01 Å. In the eleventh H site, H(11) is bonded in a linear geometry to one O(1) and one O(2) atom. The H(11)-O(1) bond length is 1.51 Å. The H(11)-O(2) bond length is 1.03 Å. 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.