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. 2020 Jan 10;76(Pt 2):177–179. doi: 10.1107/S2056989020000201

Table 3. Experimental details.

Crystal data
Chemical formula K3PO4·7D2O
M r 352.5
Crystal system, space group Monoclinic, P21
Temperature (K) 100
a, b, c (Å) 7.8325 (7), 9.3406 (8), 8.4471 (7)
β (°) 108.727 (2)
V3) 585.28 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.34
Crystal size (mm) 0.46 × 0.09 × 0.01
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.54, 0.99
No. of measured, independent and observed [I > 3σ(I)] reflections 9464, 4273, 4127
R int 0.021
(sin θ/λ)max−1) 0.759
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.016, 0.020, 1.02
No. of reflections 4273
No. of parameters 193
Δρmax, Δρmin (e Å−3) 0.16, −0.13
Absolute structure 2017 Friedel pairs used in the refinement (Flack, 1983)
Absolute structure parameter 0.004 (16)

Computer programs: APEX2 and SAINT-Plus (Bruker, 2016), SHELXT (Sheldrick, 2015), JANA2006 (Petříček et al., 2014), ATOMS (Dowty, 2006) and publCIF (Westrip, 2010).