BeF2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Be sites. In the first Be site, Be(1) is bonded to one F(1), one F(10), one F(12), and one F(2) atom to form corner-sharing BeF4 tetrahedra. In the second Be site, Be(2) is bonded to one F(1), one F(3), one F(5), and one F(8) atom to form corner-sharing BeF4 tetrahedra. In the third Be site, Be(3) is bonded in a trigonal planar geometry to one F(2), one F(3), and one F(4) atom. In the fourth Be site, Be(4) is bonded to one F(24), one F(4), one F(6), and one F(8) atom to form corner-sharing BeF4 tetrahedra. In the fifth Be site, Be(5) is bonded to one F(11), one F(13), one F(29), and one F(9) atom to form corner-sharing BeF4 tetrahedra. In the sixth Be site, Be(6) is bonded in a trigonal planar geometry to one F(13), one F(14), and one F(15) atom. In the seventh Be site, Be(7) is bonded to one F(12), one F(14), one F(17), and one F(9) atom to form corner-sharing BeF4 tetrahedra. In the eighth Be site, Be(8) is bonded to one F(15), one F(17), one F(5), and one F(7) atom to form corner-sharing BeF4 tetrahedra. In the ninth Be site, Be(9) is bonded to one F(16), one F(18), one F(21), and one F(7) atom to form corner-sharing BeF4 tetrahedra. In the tenth Be site, Be(10) is bonded in a trigonal planar geometry to one F(16), one F(19), and one F(22) atom. In the eleventh Be site, Be(11) is bonded to one F(19), one F(20), one F(21), and one F(23) atom to form corner-sharing BeF4 tetrahedra. In the twelfth Be site, Be(12) is bonded to one F(20), one F(22), one F(25), and one F(29) atom to form corner-sharing BeF4 tetrahedra. In the thirteenth Be site, Be(13) is bonded to one F(23), one F(24), one F(26), and one F(28) atom to form corner-sharing BeF4 tetrahedra. In the fourteenth Be site, Be(14) is bonded to one F(25), one F(27), one F(28), and one F(30) atom to form corner-sharing BeF4 tetrahedra. In the fifteenth Be site, Be(15) is bonded in a trigonal planar geometry to one F(26), one F(30), and one F(32) atom. In the sixteenth Be site, Be(16) is bonded to one F(10), one F(27), one F(31), and one F(32) atom to form corner-sharing BeF4 tetrahedra. There are thirty-two inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Be(1) and one Be(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Be(2) and one Be(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Be(3) and one Be(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Be(2) and one Be(8) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Be(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Be(8) and one Be(9) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Be(2) and one Be(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Be(5) and one Be(7) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Be(1) and one Be(16) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Be(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Be(1) and one Be(7) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Be(5) and one Be(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Be(6) and one Be(7) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Be(6) and one Be(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one Be(10) and one Be(9) atom. In the seventeenth F site, F(17) is bonded in a bent 120 degrees geometry to one Be(7) and one Be(8) atom. In the eighteenth F site, F(18) is bonded in a single-bond geometry to one Be(9) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one Be(10) and one Be(11) atom. In the twentieth F site, F(20) is bonded in a bent 120 degrees geometry to one Be(11) and one Be(12) atom. In the twenty-first F site, F(21) is bonded in a bent 150 degrees geometry to one Be(11) and one Be(9) atom. In the twenty-second F site, F(22) is bonded in a bent 150 degrees geometry to one Be(10) and one Be(12) atom. In the twenty-third F site, F(23) is bonded in a bent 150 degrees geometry to one Be(11) and one Be(13) atom. In the twenty-fourth F site, F(24) is bonded in a bent 150 degrees geometry to one Be(13) and one Be(4) atom. In the twenty-fifth F site, F(25) is bonded in a bent 150 degrees geometry to one Be(12) and one Be(14) atom. In the twenty-sixth F site, F(26) is bonded in a bent 150 degrees geometry to one Be(13) and one Be(15) atom. In the twenty-seventh F site, F(27) is bonded in a bent 150 degrees geometry to one Be(14) and one Be(16) atom. In the twenty-eighth F site, F(28) is bonded in a bent 120 degrees geometry to one Be(13) and one Be(14) atom. In the twenty-ninth F site, F(29) is bonded in a bent 150 degrees geometry to one Be(12) and one Be(5) atom. In the thirtieth F site, F(30) is bonded in a bent 150 degrees geometry to one Be(14) and one Be(15) atom. In the thirty-first F site, F(31) is bonded in a single-bond geometry to one Be(16) atom. In the thirty-second F site, F(32) is bonded in a bent 150 degrees geometry to one Be(15) and one Be(16) atom.
BeF2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Be sites. In the first Be site, Be(1) is bonded to one F(1), one F(10), one F(12), and one F(2) atom to form corner-sharing BeF4 tetrahedra. The Be(1)-F(1) bond length is 1.59 Å. The Be(1)-F(10) bond length is 1.53 Å. The Be(1)-F(12) bond length is 1.55 Å. The Be(1)-F(2) bond length is 1.59 Å. In the second Be site, Be(2) is bonded to one F(1), one F(3), one F(5), and one F(8) atom to form corner-sharing BeF4 tetrahedra. The Be(2)-F(1) bond length is 1.56 Å. The Be(2)-F(3) bond length is 1.60 Å. The Be(2)-F(5) bond length is 1.55 Å. The Be(2)-F(8) bond length is 1.56 Å. In the third Be site, Be(3) is bonded in a trigonal planar geometry to one F(2), one F(3), and one F(4) atom. The Be(3)-F(2) bond length is 1.49 Å. The Be(3)-F(3) bond length is 1.50 Å. The Be(3)-F(4) bond length is 1.46 Å. In the fourth Be site, Be(4) is bonded to one F(24), one F(4), one F(6), and one F(8) atom to form corner-sharing BeF4 tetrahedra. The Be(4)-F(24) bond length is 1.60 Å. The Be(4)-F(4) bond length is 1.63 Å. The Be(4)-F(6) bond length is 1.46 Å. The Be(4)-F(8) bond length is 1.62 Å. In the fifth Be site, Be(5) is bonded to one F(11), one F(13), one F(29), and one F(9) atom to form corner-sharing BeF4 tetrahedra. The Be(5)-F(11) bond length is 1.46 Å. The Be(5)-F(13) bond length is 1.63 Å. The Be(5)-F(29) bond length is 1.60 Å. The Be(5)-F(9) bond length is 1.62 Å. In the sixth Be site, Be(6) is bonded in a trigonal planar geometry to one F(13), one F(14), and one F(15) atom. The Be(6)-F(13) bond length is 1.46 Å. The Be(6)-F(14) bond length is 1.50 Å. The Be(6)-F(15) bond length is 1.49 Å. In the seventh Be site, Be(7) is bonded to one F(12), one F(14), one F(17), and one F(9) atom to form corner-sharing BeF4 tetrahedra. The Be(7)-F(12) bond length is 1.55 Å. The Be(7)-F(14) bond length is 1.60 Å. The Be(7)-F(17) bond length is 1.57 Å. The Be(7)-F(9) bond length is 1.56 Å. In the eighth Be site, Be(8) is bonded to one F(15), one F(17), one F(5), and one F(7) atom to form corner-sharing BeF4 tetrahedra. The Be(8)-F(15) bond length is 1.59 Å. The Be(8)-F(17) bond length is 1.59 Å. The Be(8)-F(5) bond length is 1.55 Å. The Be(8)-F(7) bond length is 1.53 Å. In the ninth Be site, Be(9) is bonded to one F(16), one F(18), one F(21), and one F(7) atom to form corner-sharing BeF4 tetrahedra. The Be(9)-F(16) bond length is 1.64 Å. The Be(9)-F(18) bond length is 1.46 Å. The Be(9)-F(21) bond length is 1.62 Å. The Be(9)-F(7) bond length is 1.60 Å. In the tenth Be site, Be(10) is bonded in a trigonal planar geometry to one F(16), one F(19), and one F(22) atom. The Be(10)-F(16) bond length is 1.46 Å. The Be(10)-F(19) bond length is 1.51 Å. The Be(10)-F(22) bond length is 1.49 Å. In the eleventh Be site, Be(11) is bonded to one F(19), one F(20), one F(21), and one F(23) atom to form corner-sharing BeF4 tetrahedra. The Be(11)-F(19) bond length is 1.60 Å. The Be(11)-F(20) bond length is 1.56 Å. The Be(11)-F(21) bond length is 1.57 Å. The Be(11)-F(23) bond length is 1.55 Å. In the twelfth Be site, Be(12) is bonded to one F(20), one F(22), one F(25), and one F(29) atom to form corner-sharing BeF4 tetrahedra. The Be(12)-F(20) bond length is 1.59 Å. The Be(12)-F(22) bond length is 1.60 Å. The Be(12)-F(25) bond length is 1.55 Å. The Be(12)-F(29) bond length is 1.53 Å. In the thirteenth Be site, Be(13) is bonded to one F(23), one F(24), one F(26), and one F(28) atom to form corner-sharing BeF4 tetrahedra. The Be(13)-F(23) bond length is 1.55 Å. The Be(13)-F(24) bond length is 1.53 Å. The Be(13)-F(26) bond length is 1.60 Å. The Be(13)-F(28) bond length is 1.58 Å. In the fourteenth Be site, Be(14) is bonded to one F(25), one F(27), one F(28), and one F(30) atom to form corner-sharing BeF4 tetrahedra. The Be(14)-F(25) bond length is 1.55 Å. The Be(14)-F(27) bond length is 1.56 Å. The Be(14)-F(28) bond length is 1.56 Å. The Be(14)-F(30) bond length is 1.60 Å. In the fifteenth Be site, Be(15) is bonded in a trigonal planar geometry to one F(26), one F(30), and one F(32) atom. The Be(15)-F(26) bond length is 1.49 Å. The Be(15)-F(30) bond length is 1.50 Å. The Be(15)-F(32) bond length is 1.47 Å. In the sixteenth Be site, Be(16) is bonded to one F(10), one F(27), one F(31), and one F(32) atom to form corner-sharing BeF4 tetrahedra. The Be(16)-F(10) bond length is 1.60 Å. The Be(16)-F(27) bond length is 1.61 Å. The Be(16)-F(31) bond length is 1.45 Å. The Be(16)-F(32) bond length is 1.63 Å. There are thirty-two inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Be(1) and one Be(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Be(2) and one Be(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Be(3) and one Be(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Be(2) and one Be(8) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Be(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Be(8) and one Be(9) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Be(2) and one Be(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Be(5) and one Be(7) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Be(1) and one Be(16) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Be(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Be(1) and one Be(7) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Be(5) and one Be(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Be(6) and one Be(7) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Be(6) and one Be(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one Be(10) and one Be(9) atom. In the seventeenth F site, F(17) is bonded in a bent 120 degrees geometry to one Be(7) and one Be(8) atom. In the eighteenth F site, F(18) is bonded in a single-bond geometry to one Be(9) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one Be(10) and one Be(11) atom. In the twentieth F site, F(20) is bonded in a bent 120 degrees geometry to one Be(11) and one Be(12) atom. In the twenty-first F site, F(21) is bonded in a bent 150 degrees geometry to one Be(11) and one Be(9) atom. In the twenty-second F site, F(22) is bonded in a bent 150 degrees geometry to one Be(10) and one Be(12) atom. In the twenty-third F site, F(23) is bonded in a bent 150 degrees geometry to one Be(11) and one Be(13) atom. In the twenty-fourth F site, F(24) is bonded in a bent 150 degrees geometry to one Be(13) and one Be(4) atom. In the twenty-fifth F site, F(25) is bonded in a bent 150 degrees geometry to one Be(12) and one Be(14) atom. In the twenty-sixth F site, F(26) is bonded in a bent 150 degrees geometry to one Be(13) and one Be(15) atom. In the twenty-seventh F site, F(27) is bonded in a bent 150 degrees geometry to one Be(14) and one Be(16) atom. In the twenty-eighth F site, F(28) is bonded in a bent 120 degrees geometry to one Be(13) and one Be(14) atom. In the twenty-ninth F site, F(29) is bonded in a bent 150 degrees geometry to one Be(12) and one Be(5) atom. In the thirtieth F site, F(30) is bonded in a bent 150 degrees geometry to one Be(14) and one Be(15) atom. In the thirty-first F site, F(31) is bonded in a single-bond geometry to one Be(16) atom. In the thirty-second F site, F(32) is bonded in a bent 150 degrees geometry to one Be(15) and one Be(16) atom.