Lei Han,
1,2
Shanmin Wang,
3
Jinlong zhu,
3
Songbai Han,
4
Wenmin Li,
1
Bijuan Chen,
1
Xiancheng Wang,
1
Xiaohui Yu,
1,a)
Baochang Liu,
2,a)
Ruifeng Zhang,
5,a)
Youwen
Long,
1
Jinguang Cheng,
1
Jianzhong Zhang,
6
Yusheng Zhao
1,3
and Changqing Jin
1
1 Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese
Academy of Sciences, Beijing 100190, China .
2 College of Construction Engineering, Jilin University, Jilin 132000, China .
3 HiPSEC and Department of Physics, University of Nevada, Las Vegas, Nevada 89154, USA .
4 Neutron Scattering Laboratory, China Institute of Atomic Energy, Beijing 102413, China.
5 School of Materials Science and Engineering, Beihang University, Beijing 100191, China .
6 LANSCE Division, Los Alamos National Lab, Los Alamos, NM 87545, USA . a)
Authors to whom correspondence should be addressed. Electronic addresses: yuxh@iphy.ac.cn
, liubc@lju.edu.cn
and zrf@buaa.edu.cn

FIG. S1: a refined XRD pattern for CrB. The XRD data were taken at ambient conditions with Cu Kα radiation.

(a)
(b)
(c)
FIG. S2: relative cell parameters as a function of pressure for CrB: (a) a/a
0
, (b) b/b
0
,
(c) c/c
0

FIG. S3: electrical resistivity measurement of CrB from 300K to 2K. The inner picture shows the fitting of electrical resistivity from 2-60K.

Table S1: structural parameters refined from XRD data of orthorhombic CrB.
Space Group
Cell Volume (
Å 3 )
Cell Parameters a , b , c ( Å)
CrB XRD Refinement Results
Cmcm (No. 63)
67.77
2.959, 7.846, 2.919
Cr Position
B Position
(0.000, 0.146, 0.250)
(0.000, 0.416, 0.250)
Table S2: single-crystal elastic constants obtained from first principles simulation.
CrB oS8 tI16
C11 C22 C33 C44 C55 C66 C12 C13 C23
511.3 609.0 612.4 222.6 276.3 219.0 183.1 175.0 147.5
566.8 280.2 187.2 115.8 626.9 225.8