Calculated structural parameters of (La_0.5Bi_0.5O)CuCh (Ch = S, Se, Te) systems (Calc) compared with the previous experimental results denoted by Exp₁ and Exp₂ for (LaO)CuCh and (BiO)CuCh,³⁸ respectively.

Parameter		(La0.5Bi0.5O)CuS			(La0.5Bi0.5O)CuSe			(La0.5Bi0.5O)CuTe
		Calc	Exp1	Exp2	Calc	Exp1	Exp2	Calc	Exp1	Exp2
a (Å)		3.9699	3.9938(2)	3.8691(1)	4.0413	4.0670(1)	3.9287(1)	4.1442	4.1808(2)	4.0411(2)
c (Å)		8.5791	8.5215(4)	8.5602(4)	8.9197	8.8006(8)	8.9291(2)	9.4662	9.3441(8)	9.5237(5)
Δa (%)		—	−0.5981	2.6056	—	−0.6329	2.8651	—	−0.8746	2.5522
Δc (%)		—	0.6759	0.2207	—	1.3532	−0.1054	—	1.3072	−0.6033
V cell (Å3)		135.2083	135.9217	128.1456	145.6745	145.5662	137.8178	162.5799	163.3264	155.5267
Cu1 (xCu, −yCu, zCu)	x Cu	0.2477	1/4		0.2481	1/4		0.2502	1/4
Cu2 (−yCu, xCu, zCu)	y Cu	0.2481	1/4		0.2480	1/4		0.2501	1/4
	z Cu	0.5016	1/2		0.4987	1/2		0.4988	1/2
O1 (xO, −yO, zO)	x O	0.2500	1/4		0.2500	1/4		0.2502	1/4
O2 (−yO, xO, zO)	y O	0.2502	1/4		0.2503	1/4		0.2503	1/4
	z O	−0.0014	0		0.0000	0		0.0004	0
La (xLa, xLa, zLa)	x La	0.2497	1/4	—	0.2496	1/4	—	0.2499	1/4	—
	z La	0.1566	0.14763(7)	—	0.1458	0.13963(6)	—	0.1280	0.1267(1)	—
Bi −(xBi, xBi, zBi)	x Bi	0.2501	—	1/4	0.2497	—	1/4	0.2501	—	1/4
	z Bi	0.1415	—	0.14829(5)	0.1347	—	0.14020(4)	0.1264	—	0.12733(9)
Ch1 (xCh1, xCh1, zCh1)	x Ch1	0.2512	1/4	1/4	0.2510	1/4	1/4	0.2500	1/4	1/4
	z Ch1	0.6567	0.6623(1)	0.6710(2)	0.6684	0.6698(1)	0.6758(1)	0.6771	0.6754(1)	0.6810(1)
Ch2 −(xCh2, xCh2, zCh2)	x Ch2	0.2505	1/4	1/4	0.2507	1/4	1/4	0.2499	1/4	1/4
	z Ch2	0.6722	0.6623(1)	0.6710(2)	0.6768	0.6698(1)	0.6758(1)	0.6772	0.6754(1)	0.6810(1)