Cr12P7 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(5), and two equivalent P(7) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(5), and two equivalent P(6) atoms. In the third Cr site, Cr(3) is bonded in a 5-coordinate geometry to one P(4), two equivalent P(6), and two equivalent P(7) atoms. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(5) atoms. In the fifth Cr site, Cr(5) is bonded in a 4-coordinate geometry to one P(1), one P(2), and two equivalent P(6) atoms. In the sixth Cr site, Cr(6) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(7) atoms. In the seventh Cr site, Cr(7) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(2), and two equivalent P(4) atoms. In the eighth Cr site, Cr(8) is bonded in a 5-coordinate geometry to one P(7), two equivalent P(2), and two equivalent P(3) atoms. In the ninth Cr site, Cr(9) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(3), and two equivalent P(4) atoms. In the tenth Cr site, Cr(10) is bonded in a 5-coordinate geometry to one P(7), two equivalent P(1), and two equivalent P(4) atoms. In the eleventh Cr site, Cr(11) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(1), and two equivalent P(2) atoms. In the twelfth Cr site, Cr(12) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(1), and two equivalent P(3) atoms. There are seven inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Cr(4), one Cr(5), one Cr(6), two equivalent Cr(10), two equivalent Cr(11), and two equivalent Cr(12) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Cr(1), one Cr(5), two equivalent Cr(11), two equivalent Cr(7), and two equivalent Cr(8) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to one Cr(2), one Cr(6), two equivalent Cr(12), two equivalent Cr(8), and two equivalent Cr(9) atoms. In the fourth P site, P(4) is bonded in a 8-coordinate geometry to one Cr(3), one Cr(4), two equivalent Cr(10), two equivalent Cr(7), and two equivalent Cr(9) atoms. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Cr(11), one Cr(9), two equivalent Cr(1), two equivalent Cr(2), and two equivalent Cr(4) atoms. In the sixth P site, P(6) is bonded in a 8-coordinate geometry to one Cr(12), one Cr(7), two equivalent Cr(2), two equivalent Cr(3), and two equivalent Cr(5) atoms. In the seventh P site, P(7) is bonded in a 8-coordinate geometry to one Cr(10), one Cr(8), two equivalent Cr(1), two equivalent Cr(3), and two equivalent Cr(6) atoms.
Cr12P7 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(5), and two equivalent P(7) atoms. The Cr(1)-P(2) bond length is 2.35 Å. Both Cr(1)-P(5) bond lengths are 2.38 Å. Both Cr(1)-P(7) bond lengths are 2.40 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(5), and two equivalent P(6) atoms. The Cr(2)-P(3) bond length is 2.35 Å. Both Cr(2)-P(5) bond lengths are 2.40 Å. Both Cr(2)-P(6) bond lengths are 2.38 Å. In the third Cr site, Cr(3) is bonded in a 5-coordinate geometry to one P(4), two equivalent P(6), and two equivalent P(7) atoms. The Cr(3)-P(4) bond length is 2.35 Å. Both Cr(3)-P(6) bond lengths are 2.40 Å. Both Cr(3)-P(7) bond lengths are 2.37 Å. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(5) atoms. The Cr(4)-P(1) bond length is 2.34 Å. The Cr(4)-P(4) bond length is 2.40 Å. Both Cr(4)-P(5) bond lengths are 2.33 Å. In the fifth Cr site, Cr(5) is bonded in a 4-coordinate geometry to one P(1), one P(2), and two equivalent P(6) atoms. The Cr(5)-P(1) bond length is 2.39 Å. The Cr(5)-P(2) bond length is 2.39 Å. Both Cr(5)-P(6) bond lengths are 2.34 Å. In the sixth Cr site, Cr(6) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(7) atoms. The Cr(6)-P(1) bond length is 2.37 Å. The Cr(6)-P(3) bond length is 2.41 Å. Both Cr(6)-P(7) bond lengths are 2.35 Å. In the seventh Cr site, Cr(7) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(2), and two equivalent P(4) atoms. The Cr(7)-P(6) bond length is 2.44 Å. Both Cr(7)-P(2) bond lengths are 2.47 Å. Both Cr(7)-P(4) bond lengths are 2.45 Å. In the eighth Cr site, Cr(8) is bonded in a 5-coordinate geometry to one P(7), two equivalent P(2), and two equivalent P(3) atoms. The Cr(8)-P(7) bond length is 2.48 Å. Both Cr(8)-P(2) bond lengths are 2.46 Å. Both Cr(8)-P(3) bond lengths are 2.46 Å. In the ninth Cr site, Cr(9) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(3), and two equivalent P(4) atoms. The Cr(9)-P(5) bond length is 2.46 Å. Both Cr(9)-P(3) bond lengths are 2.46 Å. Both Cr(9)-P(4) bond lengths are 2.44 Å. In the tenth Cr site, Cr(10) is bonded in a 5-coordinate geometry to one P(7), two equivalent P(1), and two equivalent P(4) atoms. The Cr(10)-P(7) bond length is 2.50 Å. Both Cr(10)-P(1) bond lengths are 2.56 Å. Both Cr(10)-P(4) bond lengths are 2.49 Å. In the eleventh Cr site, Cr(11) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(1), and two equivalent P(2) atoms. The Cr(11)-P(5) bond length is 2.52 Å. Both Cr(11)-P(1) bond lengths are 2.54 Å. Both Cr(11)-P(2) bond lengths are 2.52 Å. In the twelfth Cr site, Cr(12) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(1), and two equivalent P(3) atoms. The Cr(12)-P(6) bond length is 2.54 Å. Both Cr(12)-P(1) bond lengths are 2.53 Å. Both Cr(12)-P(3) bond lengths are 2.52 Å. There are seven inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Cr(4), one Cr(5), one Cr(6), two equivalent Cr(10), two equivalent Cr(11), and two equivalent Cr(12) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Cr(1), one Cr(5), two equivalent Cr(11), two equivalent Cr(7), and two equivalent Cr(8) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to one Cr(2), one Cr(6), two equivalent Cr(12), two equivalent Cr(8), and two equivalent Cr(9) atoms. In the fourth P site, P(4) is bonded in a 8-coordinate geometry to one Cr(3), one Cr(4), two equivalent Cr(10), two equivalent Cr(7), and two equivalent Cr(9) atoms. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Cr(11), one Cr(9), two equivalent Cr(1), two equivalent Cr(2), and two equivalent Cr(4) atoms. In the sixth P site, P(6) is bonded in a 8-coordinate geometry to one Cr(12), one Cr(7), two equivalent Cr(2), two equivalent Cr(3), and two equivalent Cr(5) atoms. In the seventh P site, P(7) is bonded in a 8-coordinate geometry to one Cr(10), one Cr(8), two equivalent Cr(1), two equivalent Cr(3), and two equivalent Cr(6) atoms.