Table 1. Rietveld refinement results for LNT powders between 70 and 100 mol% LT.

Composition (mol% LT)	a = b (Å)	c (Å)	t (Å)	s (Å)	d	Tilt (°)	R wp	R p	GOF
LT crystal†	5.15428 (1)	13.78351 (2)	0.20 (1)	0.60 (2)	−0.0026 (1)	22.9 (1)	–	–	–
LiTaO3	5.1523 (1)	13.7768 (1)	0.198 (4)	0.58 (1)	−0.0029 (3)	22.93 (8)	0.1468	0.0937	1.489
99	5.1525 (1)	13.7774 (2)	0.213 (4)	0.63 (1)	−0.0041 (2)	23.24 (7)	0.1093	0.0750	1.724
95	5.1518 (1)	13.7802 (2)	0.204 (3)	0.62 (1)	−0.0027 (2)	23.27 (6)	0.0949	0.0631	1.640
93	5.1518 (1)	13.7819 (2)	0.200 (3)	0.63 (1)	−0.0027 (2)	23.25 (6)	0.0954	0.0636	1.675
91	5.1521 (1)	13.7833 (2)	0.212 (3)	0.64 (1)	−0.0026 (2)	23.29 (6)	0.0894	0.0602	1.461
90	5.1516 (1)	13.7838 (2)	0.209 (3)	0.66 (1)	−0.0029 (3)	23.16 (6)	0.1068	0.0693	1.472
80	5.1513 (1)	13.7914 (2)	0.216 (3)	0.63 (1)	−0.0030 (3)	23.35 (6)	0.1109	0.0723	1.369
70	5.1505 (1)	13.7985 (2)	0.240 (2)	0.61 (1)	−0.0041 (2)	23.45 (5)	0.0835	0.0595	1.733

^†Calculated by Megaw & Darlington (1975 ▸) using X-ray diffraction and single-crystal neutron diffraction measurements (Abrahams & Bernstein, 1967 ▸; Abrahams et al., 1967 ▸).