Na3CoBSiO7 crystallizes in the triclinic P-1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(2), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(14), one O(2), one O(3), and one O(6) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(6), and one O(7) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(14), one O(4), one O(5), one O(7), and one O(9) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(4), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(13), one O(3), one O(5), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(5), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(6), and one B(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(6), one Co(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Co(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(6), one Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one Co(2), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(4), one Na(6), one Co(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Co(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(6), one Co(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Co(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Co(2), and one Si(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Na(1), one Na(5), one Na(6), one Co(2), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Na(6), one Co(1), and one Si(2) atom.
Na3CoBSiO7 crystallizes in the triclinic P-1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(2), one O(4), and one O(5) atom. The Na(1)-O(1) bond length is 2.39 Å. The Na(1)-O(11) bond length is 2.46 Å. The Na(1)-O(13) bond length is 2.46 Å. The Na(1)-O(2) bond length is 2.86 Å. The Na(1)-O(4) bond length is 2.42 Å. The Na(1)-O(5) bond length is 2.81 Å. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(14), one O(2), one O(3), and one O(6) atom. The Na(2)-O(1) bond length is 2.78 Å. The Na(2)-O(12) bond length is 2.46 Å. The Na(2)-O(14) bond length is 2.45 Å. The Na(2)-O(2) bond length is 2.44 Å. The Na(2)-O(3) bond length is 2.33 Å. The Na(2)-O(6) bond length is 2.91 Å. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(6), and one O(7) atom. The Na(3)-O(1) bond length is 2.28 Å. The Na(3)-O(10) bond length is 2.33 Å. The Na(3)-O(11) bond length is 2.87 Å. The Na(3)-O(12) bond length is 2.56 Å. The Na(3)-O(3) bond length is 2.53 Å. The Na(3)-O(6) bond length is 2.34 Å. The Na(3)-O(7) bond length is 2.70 Å. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. The Na(4)-O(11) bond length is 2.52 Å. The Na(4)-O(12) bond length is 2.80 Å. The Na(4)-O(2) bond length is 2.32 Å. The Na(4)-O(4) bond length is 2.58 Å. The Na(4)-O(5) bond length is 2.37 Å. The Na(4)-O(8) bond length is 2.62 Å. The Na(4)-O(9) bond length is 2.34 Å. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(14), one O(4), one O(5), one O(7), and one O(9) atom. The Na(5)-O(1) bond length is 2.28 Å. The Na(5)-O(13) bond length is 2.82 Å. The Na(5)-O(14) bond length is 2.56 Å. The Na(5)-O(4) bond length is 2.55 Å. The Na(5)-O(5) bond length is 2.36 Å. The Na(5)-O(7) bond length is 2.68 Å. The Na(5)-O(9) bond length is 2.33 Å. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. The Na(6)-O(10) bond length is 2.32 Å. The Na(6)-O(13) bond length is 2.51 Å. The Na(6)-O(14) bond length is 2.85 Å. The Na(6)-O(2) bond length is 2.32 Å. The Na(6)-O(3) bond length is 2.54 Å. The Na(6)-O(6) bond length is 2.35 Å. The Na(6)-O(8) bond length is 2.66 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(4), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. The Co(1)-O(11) bond length is 2.04 Å. The Co(1)-O(14) bond length is 2.02 Å. The Co(1)-O(4) bond length is 1.98 Å. The Co(1)-O(6) bond length is 1.98 Å. The Co(1)-O(8) bond length is 1.93 Å. The Co(1)-O(9) bond length is 1.91 Å. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(13), one O(3), one O(5), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. The Co(2)-O(10) bond length is 1.92 Å. The Co(2)-O(12) bond length is 1.99 Å. The Co(2)-O(13) bond length is 2.04 Å. The Co(2)-O(3) bond length is 2.14 Å. The Co(2)-O(5) bond length is 2.04 Å. The Co(2)-O(7) bond length is 1.88 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The B(1)-O(1) bond length is 1.35 Å. The B(1)-O(3) bond length is 1.39 Å. The B(1)-O(5) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. The B(2)-O(2) bond length is 1.34 Å. The B(2)-O(4) bond length is 1.40 Å. The B(2)-O(6) bond length is 1.40 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. The Si(1)-O(11) bond length is 1.64 Å. The Si(1)-O(13) bond length is 1.64 Å. The Si(1)-O(7) bond length is 1.68 Å. The Si(1)-O(9) bond length is 1.63 Å. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. The Si(2)-O(10) bond length is 1.63 Å. The Si(2)-O(12) bond length is 1.65 Å. The Si(2)-O(14) bond length is 1.64 Å. The Si(2)-O(8) bond length is 1.66 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(5), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(6), and one B(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(6), one Co(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Co(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(6), one Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one Co(2), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(4), one Na(6), one Co(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Co(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(6), one Co(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Co(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Co(2), and one Si(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Na(1), one Na(5), one Na(6), one Co(2), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Na(6), one Co(1), and one Si(2) atom.