CaMn4(SiO3)5 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(15), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(15), one O(3), one O(5), one O(8), and two equivalent O(10) atoms to form MnO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(8), one O(9), and two equivalent O(11) atoms to form MnO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with three equivalent Si(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(4), and one O(5) atom. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(14), one O(2), one O(3), and one O(5) atom to form distorted MnO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-69°. In the second Si site, Si(2) is bonded to one O(13), one O(14), one O(15), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-61°. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-63°. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(13), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the fifth Si site, Si(5) is bonded to one O(1), one O(11), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-64°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ca(1), one Si(3), and one Si(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Si(3) atom. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Si(1) atom to form distorted OMn3Si tetrahedra that share corners with two equivalent O(10)Mn3Si tetrahedra and  an edgeedge with one O(8)CaMn2Si trigonal pyramid. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(3), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(4), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Si(3), and one Si(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(1), and one Si(5) atom. In the eighth O site, O(8) is bonded to one Ca(1), one Mn(1), one Mn(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCaMn2Si trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one Si(5) atom. In the tenth O site, O(10) is bonded to one Mn(3), two equivalent Mn(1), and one Si(4) atom to form distorted OMn3Si tetrahedra that share corners with two equivalent O(3)Mn3Si tetrahedra, corners with two equivalent O(8)CaMn2Si trigonal pyramids, and  an edgeedge with one O(10)Mn3Si tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), two equivalent Mn(2), and one Si(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(3), one Si(2), and one Si(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mn(4), one Si(1), and one Si(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(1), and one Si(2) atom.
CaMn4(SiO3)5 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(15), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. The Ca(1)-O(1) bond length is 2.60 Å. The Ca(1)-O(15) bond length is 2.31 Å. The Ca(1)-O(4) bond length is 2.34 Å. The Ca(1)-O(6) bond length is 2.56 Å. The Ca(1)-O(7) bond length is 2.50 Å. The Ca(1)-O(8) bond length is 2.35 Å. The Ca(1)-O(9) bond length is 2.35 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(15), one O(3), one O(5), one O(8), and two equivalent O(10) atoms to form MnO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The Mn(1)-O(15) bond length is 2.12 Å. The Mn(1)-O(3) bond length is 2.26 Å. The Mn(1)-O(5) bond length is 2.15 Å. The Mn(1)-O(8) bond length is 2.28 Å. There is one shorter (2.19 Å) and one longer (2.34 Å) Mn(1)-O(10) bond length. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(8), one O(9), and two equivalent O(11) atoms to form MnO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with three equivalent Si(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The Mn(2)-O(2) bond length is 2.17 Å. The Mn(2)-O(3) bond length is 2.33 Å. The Mn(2)-O(8) bond length is 2.22 Å. The Mn(2)-O(9) bond length is 2.07 Å. There is one shorter (2.25 Å) and one longer (2.26 Å) Mn(2)-O(11) bond length. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(4), and one O(5) atom. The Mn(3)-O(10) bond length is 2.13 Å. The Mn(3)-O(12) bond length is 2.05 Å. The Mn(3)-O(13) bond length is 2.40 Å. The Mn(3)-O(4) bond length is 1.97 Å. The Mn(3)-O(5) bond length is 2.21 Å. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(14), one O(2), one O(3), and one O(5) atom to form distorted MnO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The Mn(4)-O(11) bond length is 2.24 Å. The Mn(4)-O(12) bond length is 2.18 Å. The Mn(4)-O(14) bond length is 2.25 Å. The Mn(4)-O(2) bond length is 2.13 Å. The Mn(4)-O(3) bond length is 2.12 Å. The Mn(4)-O(5) bond length is 2.42 Å. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-69°. The Si(1)-O(14) bond length is 1.64 Å. The Si(1)-O(3) bond length is 1.62 Å. The Si(1)-O(4) bond length is 1.59 Å. The Si(1)-O(7) bond length is 1.64 Å. In the second Si site, Si(2) is bonded to one O(13), one O(14), one O(15), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-61°. The Si(2)-O(13) bond length is 1.66 Å. The Si(2)-O(14) bond length is 1.66 Å. The Si(2)-O(15) bond length is 1.60 Å. The Si(2)-O(5) bond length is 1.62 Å. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-63°. The Si(3)-O(1) bond length is 1.65 Å. The Si(3)-O(2) bond length is 1.60 Å. The Si(3)-O(6) bond length is 1.66 Å. The Si(3)-O(8) bond length is 1.61 Å. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(13), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-66°. The Si(4)-O(10) bond length is 1.63 Å. The Si(4)-O(12) bond length is 1.60 Å. The Si(4)-O(13) bond length is 1.64 Å. The Si(4)-O(6) bond length is 1.66 Å. In the fifth Si site, Si(5) is bonded to one O(1), one O(11), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-64°. The Si(5)-O(1) bond length is 1.68 Å. The Si(5)-O(11) bond length is 1.62 Å. The Si(5)-O(7) bond length is 1.63 Å. The Si(5)-O(9) bond length is 1.59 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ca(1), one Si(3), and one Si(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Si(3) atom. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Si(1) atom to form distorted OMn3Si tetrahedra that share corners with two equivalent O(10)Mn3Si tetrahedra and  an edgeedge with one O(8)CaMn2Si trigonal pyramid. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(3), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(4), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Si(3), and one Si(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(1), and one Si(5) atom. In the eighth O site, O(8) is bonded to one Ca(1), one Mn(1), one Mn(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCaMn2Si trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one Si(5) atom. In the tenth O site, O(10) is bonded to one Mn(3), two equivalent Mn(1), and one Si(4) atom to form distorted OMn3Si tetrahedra that share corners with two equivalent O(3)Mn3Si tetrahedra, corners with two equivalent O(8)CaMn2Si trigonal pyramids, and  an edgeedge with one O(10)Mn3Si tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), two equivalent Mn(2), and one Si(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(3), one Si(2), and one Si(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mn(4), one Si(1), and one Si(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(1), and one Si(2) atom.