BaBe2(BO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(12), one O(2), and one O(7) atom to form edge-sharing BeO4 tetrahedra. In the second Be site, Be(2) is bonded to one O(11), one O(3), one O(5), and one O(8) atom to form edge-sharing BeO4 tetrahedra. In the third Be site, Be(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form edge-sharing BeO4 tetrahedra. In the fourth Be site, Be(4) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form edge-sharing BeO4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(4) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Be(1), one Be(4), and one B(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(1), and one B(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(2), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(4), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(4), and one B(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Be(1), one Be(4), and one B(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Be(2), one Be(3), and one B(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(3), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(3), and one B(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Be(2), one Be(3), and one B(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(1), and one B(2) atom.
BaBe2(BO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. The Ba(1)-O(10) bond length is 2.86 Å. The Ba(1)-O(12) bond length is 2.93 Å. The Ba(1)-O(2) bond length is 2.99 Å. The Ba(1)-O(3) bond length is 2.88 Å. The Ba(1)-O(4) bond length is 2.98 Å. The Ba(1)-O(5) bond length is 2.78 Å. The Ba(1)-O(6) bond length is 2.95 Å. The Ba(1)-O(9) bond length is 2.84 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. The Ba(2)-O(10) bond length is 2.88 Å. The Ba(2)-O(12) bond length is 2.86 Å. The Ba(2)-O(2) bond length is 2.83 Å. The Ba(2)-O(3) bond length is 2.98 Å. The Ba(2)-O(4) bond length is 2.79 Å. The Ba(2)-O(5) bond length is 2.98 Å. The Ba(2)-O(6) bond length is 2.88 Å. The Ba(2)-O(9) bond length is 3.01 Å. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(12), one O(2), and one O(7) atom to form edge-sharing BeO4 tetrahedra. The Be(1)-O(1) bond length is 1.62 Å. The Be(1)-O(12) bond length is 1.68 Å. The Be(1)-O(2) bond length is 1.54 Å. The Be(1)-O(7) bond length is 1.66 Å. In the second Be site, Be(2) is bonded to one O(11), one O(3), one O(5), and one O(8) atom to form edge-sharing BeO4 tetrahedra. The Be(2)-O(11) bond length is 1.70 Å. The Be(2)-O(3) bond length is 1.65 Å. The Be(2)-O(5) bond length is 1.62 Å. The Be(2)-O(8) bond length is 1.61 Å. In the third Be site, Be(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form edge-sharing BeO4 tetrahedra. The Be(3)-O(10) bond length is 1.63 Å. The Be(3)-O(11) bond length is 1.60 Å. The Be(3)-O(8) bond length is 1.72 Å. The Be(3)-O(9) bond length is 1.58 Å. In the fourth Be site, Be(4) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form edge-sharing BeO4 tetrahedra. The Be(4)-O(1) bond length is 1.68 Å. The Be(4)-O(4) bond length is 1.58 Å. The Be(4)-O(6) bond length is 1.61 Å. The Be(4)-O(7) bond length is 1.66 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(7) atom. The B(1)-O(10) bond length is 1.43 Å. The B(1)-O(5) bond length is 1.43 Å. The B(1)-O(7) bond length is 1.34 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(4) atom. The B(2)-O(11) bond length is 1.42 Å. The B(2)-O(12) bond length is 1.36 Å. The B(2)-O(4) bond length is 1.44 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(9) atom. The B(3)-O(1) bond length is 1.44 Å. The B(3)-O(3) bond length is 1.37 Å. The B(3)-O(9) bond length is 1.33 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. The B(4)-O(2) bond length is 1.41 Å. The B(4)-O(6) bond length is 1.30 Å. The B(4)-O(8) bond length is 1.42 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Be(1), one Be(4), and one B(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(1), and one B(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(2), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(4), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(4), and one B(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Be(1), one Be(4), and one B(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Be(2), one Be(3), and one B(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(3), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(3), and one B(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Be(2), one Be(3), and one B(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one Be(1), and one B(2) atom.