Table 3 Atomic fractional coordinates, site occupancies and ADPs for the flux grown 154Sm11B6 crystal obtained from model fits to the TOPAZ neutron data.

From: On the Chemistry and Physical Properties of Flux and Floating Zone Grown SmB6 Single Crystals

T = 90 K

 atom

Wyckoff Site

x

y

z

Occupancy

U11 (Ã…2)

U22 (Ã…2)

U33 (Ã…2)

 Sm1

1a

0

0

0

1

0.00254(18)

0.00254(18)

0.00254(18)

 B1

6f

0.19984(7)

½

½

1

0.00230(18)

0.00361(18)

0.00361(18)

T = 295 K

 atom

Wyckoff Site

x

y

z

Occupancy

U11 (Ã…2)

U22 (Ã…2)

U33 (Ã…2)

 Sm1

1a

0

0

0

1

0.0066(2)

0.0066(2)

0.0066(2)

 B1

6f

0.19964(6)

½

½

1

0.00267(19)

0.0044(2)

0.0044(2)

  1. The statistical uncertainties are given in parentheses.