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. 2022 Jun 28;78(Pt 7):746–749. doi: 10.1107/S2056989022006521

Table 2. Experimental details.

Crystal data
Chemical formula KCoFe(PO4)2
M r 343.82
Crystal system, space group Monoclinic, C2/c
Temperature (K) 296
a, b, c (Å) 13.5860 (6), 13.2320 (6), 8.7316 (4)
β (°) 100.335 (2)
V3) 1544.21 (12)
Z 8
Radiation type Mo Kα
μ (mm−1) 4.99
Crystal size (mm) 0.36 × 0.27 × 0.15
 
Data collection
Diffractometer Bruker D8 VENTURE Super DUO
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.391, 0.747
No. of measured, independent and observed [I > 2σ(I)] reflections 30042, 3574, 2633
R int 0.068
(sin θ/λ)max−1) 0.820
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.036, 0.088, 1.04
No. of reflections 3574
No. of parameters 118
Δρmax, Δρmin (e Å−3) 0.98, −0.91

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT2014/7 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).