Ca3Be2P4(HO2)10 crystallizes in the triclinic P-1 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(1), one O(10), one O(3), one O(6), one O(9), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(7) atoms to form distorted CaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Be(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form BeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra and corners with two equivalent Be(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra and corners with two equivalent Be(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Be(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Be(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(2), one P(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ca(1), one H(2), and one H(3) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Ca(1), one Ca(2), one H(4), and one H(5) atom.
Ca3Be2P4(HO2)10 crystallizes in the triclinic P-1 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(1), one O(10), one O(3), one O(6), one O(9), and two equivalent O(5) atoms. The Ca(1)-O(1) bond length is 2.50 Å. The Ca(1)-O(10) bond length is 2.55 Å. The Ca(1)-O(3) bond length is 2.45 Å. The Ca(1)-O(6) bond length is 2.50 Å. The Ca(1)-O(9) bond length is 2.51 Å. There is one shorter (2.33 Å) and one longer (2.54 Å) Ca(1)-O(5) bond length. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(7) atoms to form distorted CaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Both Ca(2)-O(1) bond lengths are 2.46 Å. Both Ca(2)-O(10) bond lengths are 2.53 Å. Both Ca(2)-O(7) bond lengths are 2.34 Å. Be(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form BeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Be(1)-O(3) bond length is 1.64 Å. The Be(1)-O(4) bond length is 1.64 Å. The Be(1)-O(6) bond length is 1.61 Å. The Be(1)-O(8) bond length is 1.62 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra and corners with two equivalent Be(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.59 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra and corners with two equivalent Be(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.57 Å. The P(2)-O(7) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.55 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(7) atom. The H(1)-O(2) bond length is 1.02 Å. The H(1)-O(7) bond length is 1.68 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. The H(2)-O(9) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. The H(3)-O(9) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. The H(4)-O(10) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(10) atom. The H(5)-O(10) bond length is 0.99 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Be(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Be(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Be(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(2), one P(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ca(1), one H(2), and one H(3) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Ca(1), one Ca(2), one H(4), and one H(5) atom.