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. 2016 Jan 20;72(Pt 2):209–211. doi: 10.1107/S205698901600089X

Table 2. Experimental details.

Crystal data
Chemical formula Ca2.49Nd7.51(SiO4)6O1.75
M r 1763.24
Crystal system, space group Hexagonal, P63/m
Temperature (K) 298
a, c (Å) 9.5507 (3), 7.0513 (3)
V3) 557.03 (3)
Z 1
Radiation type Mo Kα
μ (mm−1) 18.18
Crystal size (mm) 0.05 × 0.05 × 0.05
 
Data collection
Diffractometer Agilent SuperNova (single source at offset, Eos detector)
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2012)
T min, T max 0.717, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 2616, 878, 813
R int 0.024
(sin θ/λ)max−1) 0.821
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.019, 0.035, 1.11
No. of reflections 878
No. of parameters 42
Δρmax, Δρmin (e Å−3) 0.79, −0.86

Computer programs: CrysAlis PRO (Agilent, 2012), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).