
222 
Chapter 6:  Crystal Structures of Classical Superconductors 
6.  AxB6C8Types 
LT-BaMo6S s  type, Chevrel phase,  aP15,  (2) 
Pl-iTa 
BaMo6S 8,  SX,  T  =  173 K, R  -- 0.070 
a  =  6.5896,  b  =  6.6500,  c =  6.6899 A,  ~ =  88.731,  /~ =  88.818,  y-- 88.059 ~  Z  =  1  (Kubel  and 
Yvon,  1990) 
Atom  WP  x  y  z 
Ba 
l(a)  0  0  0 
Mo(1)  2(i)  0.23750  0.56443  0.41916 
Mo(2)  2(i)  0.41765  0.23305  0.56528 
Mo(3)  2(i)  0.56678  0.41669  0.23264 
S(1)  2(0  0.1240  0.3924  0.7369 
S(2)  2(i)  0.2556  0.2469  0.2524 
S(3)  2(/)  0.3915  0.7359  0.1247 
S(4)  2(i)  0.7376  0.1224  0.3878 
For a  list of triclinic Chevrel phases,  see LT-Ni0.66Mo6Se 8. 
For superconducting transition temperatures  of Chevrel phases,  see HT-Pb0.9Mo6S 8. 
HT-Ni2.sMo6S s  type, Chevrel phase,  hR78,  (148) 
R3-f 4c 
Cu2.76Mo6S8,  T c =  10.9 K a,  SX, R  =  0.03 
a  =  9.713,  c =  10.213 A, Z  =  3  (Yvon 
et al., 
1977;  Fliikiger 
et al., 
1977) 
Atom  WP  x  y  z  Occ. 
Cu(1)  18(f)  0.15378  0.05862  0.00161 
Cu(2)  18(f)  0.23611  0.14694  0.10334 
Mo  18(f)  0.15080  0.16564  0.39103 
S(1)  18(f)  0.05620  0.35913  0.07637 
S(2)  6(c)  0  0  0.20195 
0.24 
0.22 
aFor sample  containing  two LT modifications. 
For  a  list  of  rhombohedral  Chevrel  phases  and  superconducting  transition  temperatures,  see 
HT-Pb0.9Mo6 S 8 . 
LT-Nio.66Mo6Se 8 type,  Chevrel phase,  aP16,  (2) 
Pl-i 8 
CUl.84Mo688,  T c =  10.8 K,  SX,  T  =  250 K, R  =  0.08 
a  =  6.479,  b  =  6.559,  c =  6.569A,  ~ =  96.89,/~  =  95.74,  ~,  =  93.44 ~  Z  =  1  (Yvon 
et  al., 
1979; 
Fliikiger 
et al., 
1977) 
Atom  WP  x  y  z  Occ. 
Cu  2(i)  0.3407  0.0912  0.0576 
Mo(1)  2(i)  0.0442  0.4013  0.2194 
Mo(2)  2(i)  0.0943  0.7792  0.4629 
Mo(3)  2(i)  0.2796  0.4567  0.5936 
S(1)  2(i)  0.1266  0.2845  0.8595 
S(2)  2(i)  0.2282  0.1261  0.3828 
S(3)  2(i)  0.3627  0.6186  0.2826 
S(4)  2(i)  0.7044  0.1995  0.1958 
0.92 
(continued)