Ca5Si2HO9F crystallizes in the monoclinic P2_1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one H(1), one O(2), one O(3), one O(5), one O(6), one O(9), and one F(1) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(8), one O(9), and one F(1) atom. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to one H(1), one O(1), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fifth Ca site, Ca(5) is bonded in a 5-coordinate geometry to one H(1), one O(1), one O(5), one O(7), one O(8), and one F(1) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. In the second Si site, Si(2) is bonded in a distorted square pyramidal geometry to one H(1), one O(1), one O(4), one O(7), and one O(9) atom. H(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(5), and one Si(2) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one Ca(3), and one O(6) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one Ca(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(4), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(5), and one O(8) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(4), and one O(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Ca(2), one Ca(4), one Ca(5), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), and one O(5) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), and one Si(2) atom. F(1) is bonded in a trigonal planar geometry to one Ca(1), one Ca(3), and one Ca(5) atom.
Ca5Si2HO9F crystallizes in the monoclinic P2_1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one H(1), one O(2), one O(3), one O(5), one O(6), one O(9), and one F(1) atom. The Ca(1)-H(1) bond length is 2.25 Å. The Ca(1)-O(2) bond length is 2.28 Å. The Ca(1)-O(3) bond length is 2.33 Å. The Ca(1)-O(5) bond length is 2.46 Å. The Ca(1)-O(6) bond length is 2.45 Å. The Ca(1)-O(9) bond length is 2.44 Å. The Ca(1)-F(1) bond length is 2.30 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Ca(2)-O(2) bond length is 2.71 Å. The Ca(2)-O(3) bond length is 2.43 Å. The Ca(2)-O(5) bond length is 2.72 Å. The Ca(2)-O(6) bond length is 2.47 Å. The Ca(2)-O(7) bond length is 2.42 Å. The Ca(2)-O(8) bond length is 2.35 Å. The Ca(2)-O(9) bond length is 2.52 Å. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(8), one O(9), and one F(1) atom. The Ca(3)-O(2) bond length is 2.27 Å. The Ca(3)-O(3) bond length is 2.28 Å. The Ca(3)-O(5) bond length is 2.65 Å. The Ca(3)-O(8) bond length is 2.41 Å. The Ca(3)-O(9) bond length is 2.67 Å. The Ca(3)-F(1) bond length is 2.24 Å. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to one H(1), one O(1), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. The Ca(4)-H(1) bond length is 2.42 Å. The Ca(4)-O(1) bond length is 2.69 Å. The Ca(4)-O(4) bond length is 2.35 Å. The Ca(4)-O(6) bond length is 2.24 Å. The Ca(4)-O(7) bond length is 2.37 Å. The Ca(4)-O(8) bond length is 3.04 Å. The Ca(4)-O(9) bond length is 2.76 Å. In the fifth Ca site, Ca(5) is bonded in a 5-coordinate geometry to one H(1), one O(1), one O(5), one O(7), one O(8), and one F(1) atom. The Ca(5)-H(1) bond length is 2.67 Å. The Ca(5)-O(1) bond length is 2.40 Å. The Ca(5)-O(5) bond length is 2.42 Å. The Ca(5)-O(7) bond length is 2.25 Å. The Ca(5)-O(8) bond length is 2.27 Å. The Ca(5)-F(1) bond length is 2.30 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. The Si(1)-O(1) bond length is 1.77 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(4) bond length is 1.73 Å. In the second Si site, Si(2) is bonded in a distorted square pyramidal geometry to one H(1), one O(1), one O(4), one O(7), and one O(9) atom. The Si(2)-H(1) bond length is 1.58 Å. The Si(2)-O(1) bond length is 1.77 Å. The Si(2)-O(4) bond length is 1.85 Å. The Si(2)-O(7) bond length is 1.67 Å. The Si(2)-O(9) bond length is 1.73 Å. H(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Ca(5), and one Si(2) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one Ca(3), and one O(6) atom. The O(2)-O(6) bond length is 1.51 Å. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one Ca(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(4), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(5), and one O(8) atom. The O(5)-O(8) bond length is 1.51 Å. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(4), and one O(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Ca(2), one Ca(4), one Ca(5), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), and one O(5) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), and one Si(2) atom. F(1) is bonded in a trigonal planar geometry to one Ca(1), one Ca(3), and one Ca(5) atom.