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. 2015 May 23;71(Pt 6):690–692. doi: 10.1107/S2056989015009767

Table 1. Experimental details.

Crystal data
Chemical formula Na1.67Zn1.67Fe1.33(PO4)3
M r 506.59
Crystal system, space group Monoclinic, C2/c
Temperature (K) 296
a, b, c () 11.7545(4), 12.5080(4), 6.4014(2)
() 113.507(1)
V (3) 863.06(5)
Z 4
Radiation type Mo K
(mm1) 7.52
Crystal size (mm) 0.31 0.25 0.19
 
Data collection
Diffractometer Bruker X8 APEX
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.504, 0.748
No. of measured, independent and observed [I > 2(I)] reflections 18880, 2101, 1997
R int 0.031
(sin /)max (1) 0.833
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.017, 0.046, 1.19
No. of reflections 2101
No. of parameters 96
max, min (e 3) 0.65, 1.21

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEPIII (Burnett Johnson, 1996), ORTEP-3 for Windows Farrugia, 2012), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).