Cr2OsB3 is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(10), two equivalent B(5), and two equivalent B(8) atoms. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to one B(3), two equivalent B(11), two equivalent B(6), and two equivalent B(9) atoms. In the third Cr site, Cr(3) is bonded in a 7-coordinate geometry to two equivalent Os(1), four equivalent Os(4), one B(12), two equivalent B(1), two equivalent B(4), and two equivalent B(7) atoms. In the fourth Cr site, Cr(4) is bonded in a 7-coordinate geometry to two equivalent Os(2), one B(10), two equivalent B(2), two equivalent B(5), and two equivalent B(8) atoms. In the fifth Cr site, Cr(5) is bonded in a 7-coordinate geometry to two equivalent Os(3), one B(11), two equivalent B(3), two equivalent B(6), and two equivalent B(9) atoms. In the sixth Cr site, Cr(6) is bonded in a 7-coordinate geometry to four equivalent Os(1), one B(7), two equivalent B(1), two equivalent B(10), and two equivalent B(5) atoms. In the seventh Cr site, Cr(7) is bonded in a 7-coordinate geometry to four equivalent Os(2), one B(8), two equivalent B(11), two equivalent B(2), and two equivalent B(6) atoms. In the eighth Cr site, Cr(8) is bonded in a 7-coordinate geometry to two equivalent Os(4), four equivalent Os(3), one B(9), two equivalent B(12), two equivalent B(3), and two equivalent B(4) atoms. There are four inequivalent Os sites. In the first Os site, Os(1) is bonded in a 13-coordinate geometry to two equivalent Cr(3), four equivalent Cr(6), one B(5), two equivalent B(1), two equivalent B(10), and two equivalent B(7) atoms. In the second Os site, Os(2) is bonded in a 13-coordinate geometry to two equivalent Cr(4), four equivalent Cr(7), one B(6), two equivalent B(11), two equivalent B(2), and two equivalent B(8) atoms. In the third Os site, Os(3) is bonded in a 13-coordinate geometry to two equivalent Cr(5), four equivalent Cr(8), one B(4), two equivalent B(12), two equivalent B(3), and two equivalent B(9) atoms. In the fourth Os site, Os(4) is bonded in a 13-coordinate geometry to two equivalent Cr(8), four equivalent Cr(3), one B(1), two equivalent B(12), two equivalent B(4), and two equivalent B(7) atoms. There are twelve inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Cr(3), two equivalent Cr(6), one Os(4), two equivalent Os(1), and two equivalent B(7) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Cr(1), two equivalent Cr(4), two equivalent Cr(7), two equivalent Os(2), and two equivalent B(8) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Cr(2), two equivalent Cr(5), two equivalent Cr(8), two equivalent Os(3), and two equivalent B(9) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Cr(3), two equivalent Cr(8), one Os(3), two equivalent Os(4), and two equivalent B(12) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), two equivalent Cr(6), one Os(1), and two equivalent B(10) atoms. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Cr(2), two equivalent Cr(5), two equivalent Cr(7), one Os(2), and two equivalent B(11) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Cr(6), two equivalent Cr(3), two equivalent Os(1), two equivalent Os(4), and two equivalent B(1) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to one Cr(7), two equivalent Cr(1), two equivalent Cr(4), two equivalent Os(2), and two equivalent B(2) atoms. In the ninth B site, B(9) is bonded in a 9-coordinate geometry to one Cr(8), two equivalent Cr(2), two equivalent Cr(5), two equivalent Os(3), and two equivalent B(3) atoms. In the tenth B site, B(10) is bonded in a 9-coordinate geometry to one Cr(4), two equivalent Cr(1), two equivalent Cr(6), two equivalent Os(1), and two equivalent B(5) atoms. In the eleventh B site, B(11) is bonded in a 9-coordinate geometry to one Cr(5), two equivalent Cr(2), two equivalent Cr(7), two equivalent Os(2), and two equivalent B(6) atoms. In the twelfth B site, B(12) is bonded in a 9-coordinate geometry to one Cr(3), two equivalent Cr(8), two equivalent Os(3), two equivalent Os(4), and two equivalent B(4) atoms.
Cr2OsB3 is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(10), two equivalent B(5), and two equivalent B(8) atoms. The Cr(1)-B(2) bond length is 2.24 Å. Both Cr(1)-B(10) bond lengths are 2.21 Å. There is one shorter (2.27 Å) and one longer (2.30 Å) Cr(1)-B(5) bond length. Both Cr(1)-B(8) bond lengths are 2.18 Å. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to one B(3), two equivalent B(11), two equivalent B(6), and two equivalent B(9) atoms. The Cr(2)-B(3) bond length is 2.22 Å. Both Cr(2)-B(11) bond lengths are 2.23 Å. Both Cr(2)-B(6) bond lengths are 2.30 Å. Both Cr(2)-B(9) bond lengths are 2.17 Å. In the third Cr site, Cr(3) is bonded in a 7-coordinate geometry to two equivalent Os(1), four equivalent Os(4), one B(12), two equivalent B(1), two equivalent B(4), and two equivalent B(7) atoms. Both Cr(3)-Os(1) bond lengths are 2.77 Å. There are two shorter (2.69 Å) and two longer (2.74 Å) Cr(3)-Os(4) bond lengths. The Cr(3)-B(12) bond length is 2.26 Å. Both Cr(3)-B(1) bond lengths are 2.25 Å. Both Cr(3)-B(4) bond lengths are 2.23 Å. There is one shorter (2.27 Å) and one longer (2.36 Å) Cr(3)-B(7) bond length. In the fourth Cr site, Cr(4) is bonded in a 7-coordinate geometry to two equivalent Os(2), one B(10), two equivalent B(2), two equivalent B(5), and two equivalent B(8) atoms. Both Cr(4)-Os(2) bond lengths are 2.76 Å. The Cr(4)-B(10) bond length is 2.14 Å. Both Cr(4)-B(2) bond lengths are 2.26 Å. Both Cr(4)-B(5) bond lengths are 2.13 Å. There is one shorter (2.23 Å) and one longer (2.40 Å) Cr(4)-B(8) bond length. In the fifth Cr site, Cr(5) is bonded in a 7-coordinate geometry to two equivalent Os(3), one B(11), two equivalent B(3), two equivalent B(6), and two equivalent B(9) atoms. Both Cr(5)-Os(3) bond lengths are 2.74 Å. The Cr(5)-B(11) bond length is 2.14 Å. Both Cr(5)-B(3) bond lengths are 2.27 Å. Both Cr(5)-B(6) bond lengths are 2.12 Å. There is one shorter (2.23 Å) and one longer (2.41 Å) Cr(5)-B(9) bond length. In the sixth Cr site, Cr(6) is bonded in a 7-coordinate geometry to four equivalent Os(1), one B(7), two equivalent B(1), two equivalent B(10), and two equivalent B(5) atoms. There are two shorter (2.70 Å) and two longer (2.73 Å) Cr(6)-Os(1) bond lengths. The Cr(6)-B(7) bond length is 2.29 Å. Both Cr(6)-B(1) bond lengths are 2.27 Å. There is one shorter (2.27 Å) and one longer (2.31 Å) Cr(6)-B(10) bond length. Both Cr(6)-B(5) bond lengths are 2.20 Å. In the seventh Cr site, Cr(7) is bonded in a 7-coordinate geometry to four equivalent Os(2), one B(8), two equivalent B(11), two equivalent B(2), and two equivalent B(6) atoms. There are two shorter (2.73 Å) and two longer (2.74 Å) Cr(7)-Os(2) bond lengths. The Cr(7)-B(8) bond length is 2.30 Å. There is one shorter (2.27 Å) and one longer (2.28 Å) Cr(7)-B(11) bond length. Both Cr(7)-B(2) bond lengths are 2.26 Å. Both Cr(7)-B(6) bond lengths are 2.20 Å. In the eighth Cr site, Cr(8) is bonded in a 7-coordinate geometry to two equivalent Os(4), four equivalent Os(3), one B(9), two equivalent B(12), two equivalent B(3), and two equivalent B(4) atoms. Both Cr(8)-Os(4) bond lengths are 2.75 Å. There are two shorter (2.69 Å) and two longer (2.76 Å) Cr(8)-Os(3) bond lengths. The Cr(8)-B(9) bond length is 2.25 Å. There is one shorter (2.23 Å) and one longer (2.39 Å) Cr(8)-B(12) bond length. Both Cr(8)-B(3) bond lengths are 2.21 Å. Both Cr(8)-B(4) bond lengths are 2.23 Å. There are four inequivalent Os sites. In the first Os site, Os(1) is bonded in a 13-coordinate geometry to two equivalent Cr(3), four equivalent Cr(6), one B(5), two equivalent B(1), two equivalent B(10), and two equivalent B(7) atoms. The Os(1)-B(5) bond length is 2.26 Å. There is one shorter (2.27 Å) and one longer (2.35 Å) Os(1)-B(1) bond length. Both Os(1)-B(10) bond lengths are 2.22 Å. Both Os(1)-B(7) bond lengths are 2.29 Å. In the second Os site, Os(2) is bonded in a 13-coordinate geometry to two equivalent Cr(4), four equivalent Cr(7), one B(6), two equivalent B(11), two equivalent B(2), and two equivalent B(8) atoms. The Os(2)-B(6) bond length is 2.28 Å. Both Os(2)-B(11) bond lengths are 2.25 Å. There is one shorter (2.26 Å) and one longer (2.31 Å) Os(2)-B(2) bond length. Both Os(2)-B(8) bond lengths are 2.28 Å. In the third Os site, Os(3) is bonded in a 13-coordinate geometry to two equivalent Cr(5), four equivalent Cr(8), one B(4), two equivalent B(12), two equivalent B(3), and two equivalent B(9) atoms. The Os(3)-B(4) bond length is 2.35 Å. Both Os(3)-B(12) bond lengths are 2.29 Å. There is one shorter (2.23 Å) and one longer (2.31 Å) Os(3)-B(3) bond length. Both Os(3)-B(9) bond lengths are 2.27 Å. In the fourth Os site, Os(4) is bonded in a 13-coordinate geometry to two equivalent Cr(8), four equivalent Cr(3), one B(1), two equivalent B(12), two equivalent B(4), and two equivalent B(7) atoms. The Os(4)-B(1) bond length is 2.31 Å. Both Os(4)-B(12) bond lengths are 2.27 Å. There is one shorter (2.26 Å) and one longer (2.32 Å) Os(4)-B(4) bond length. Both Os(4)-B(7) bond lengths are 2.26 Å. There are twelve inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Cr(3), two equivalent Cr(6), one Os(4), two equivalent Os(1), and two equivalent B(7) atoms. Both B(1)-B(7) bond lengths are 1.77 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Cr(1), two equivalent Cr(4), two equivalent Cr(7), two equivalent Os(2), and two equivalent B(8) atoms. Both B(2)-B(8) bond lengths are 1.77 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Cr(2), two equivalent Cr(5), two equivalent Cr(8), two equivalent Os(3), and two equivalent B(9) atoms. Both B(3)-B(9) bond lengths are 1.76 Å. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Cr(3), two equivalent Cr(8), one Os(3), two equivalent Os(4), and two equivalent B(12) atoms. Both B(4)-B(12) bond lengths are 1.77 Å. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), two equivalent Cr(6), one Os(1), and two equivalent B(10) atoms. Both B(5)-B(10) bond lengths are 1.78 Å. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Cr(2), two equivalent Cr(5), two equivalent Cr(7), one Os(2), and two equivalent B(11) atoms. Both B(6)-B(11) bond lengths are 1.78 Å. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Cr(6), two equivalent Cr(3), two equivalent Os(1), two equivalent Os(4), and two equivalent B(1) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to one Cr(7), two equivalent Cr(1), two equivalent Cr(4), two equivalent Os(2), and two equivalent B(2) atoms. In the ninth B site, B(9) is bonded in a 9-coordinate geometry to one Cr(8), two equivalent Cr(2), two equivalent Cr(5), two equivalent Os(3), and two equivalent B(3) atoms. In the tenth B site, B(10) is bonded in a 9-coordinate geometry to one Cr(4), two equivalent Cr(1), two equivalent Cr(6), two equivalent Os(1), and two equivalent B(5) atoms. In the eleventh B site, B(11) is bonded in a 9-coordinate geometry to one Cr(5), two equivalent Cr(2), two equivalent Cr(7), two equivalent Os(2), and two equivalent B(6) atoms. In the twelfth B site, B(12) is bonded in a 9-coordinate geometry to one Cr(3), two equivalent Cr(8), two equivalent Os(3), two equivalent Os(4), and two equivalent B(4) atoms.