CaV2P2(H4O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(3), and one O(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(3), one O(5), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(7), one O(8), and one O(9) atom. There are eight 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(11) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(12) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(13) and one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(10) and one O(14) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one P(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one P(2), and one H(7) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Ca(1), one V(1), one H(1), and one H(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(1), one H(3), and one H(4) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Ca(1), one H(5), and one H(6) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Ca(1), one H(7), and one H(8) atom.
CaV2P2(H4O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(3), and one O(6) atom. The Ca(1)-O(1) bond length is 2.47 Å. The Ca(1)-O(11) bond length is 2.43 Å. The Ca(1)-O(12) bond length is 2.51 Å. The Ca(1)-O(13) bond length is 2.51 Å. The Ca(1)-O(14) bond length is 2.42 Å. The Ca(1)-O(3) bond length is 2.43 Å. The Ca(1)-O(6) bond length is 2.56 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom. The V(1)-O(1) bond length is 1.64 Å. The V(1)-O(11) bond length is 2.43 Å. The V(1)-O(4) bond length is 2.01 Å. The V(1)-O(6) bond length is 2.06 Å. The V(1)-O(7) bond length is 2.02 Å. The V(1)-O(9) bond length is 2.01 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(3), one O(5), and one O(8) atom. The V(2)-O(10) bond length is 2.04 Å. The V(2)-O(2) bond length is 1.63 Å. The V(2)-O(3) bond length is 2.04 Å. The V(2)-O(5) bond length is 2.03 Å. The V(2)-O(8) bond length is 2.02 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.55 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(7), one O(8), and one O(9) atom. The P(2)-O(10) bond length is 1.57 Å. The P(2)-O(7) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.57 Å. The P(2)-O(9) bond length is 1.54 Å. There are eight 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 1.01 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(11) atom. The H(2)-O(11) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. The H(3)-O(12) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(12) atom. The H(4)-O(12) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(13) and one O(5) atom. The H(5)-O(13) bond length is 1.00 Å. The H(5)-O(5) bond length is 1.70 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(13) atom. The H(6)-O(13) bond length is 0.99 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(10) and one O(14) atom. The H(7)-O(10) bond length is 1.68 Å. The H(7)-O(14) bond length is 1.00 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(14) atom. The H(8)-O(14) bond length is 0.98 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one P(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one P(2), and one H(7) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Ca(1), one V(1), one H(1), and one H(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(1), one H(3), and one H(4) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Ca(1), one H(5), and one H(6) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Ca(1), one H(7), and one H(8) atom.