Some selected GRINSP predictions in
6-connected 3D nets (MX3) - knowns and unknowns


Im-3m

PCOD1000015
[Ca4Al7F33]4-, a = 10.860 A
Known with Na atoms in the holes, as Na4Ca4Al7F33




Fd-3m

PCOD1000017
AlF3, a = 9.668 A
known with some OH- and water in the holes : pyrochlore



P-43n

PCOD1010005
[Ca3Al4F21]3-, a = 9.009 A
UNKNOWN - Could be stuffed by Na and give the hypothetical Na3Ca3Al4F21 ?? or stuffed by Li ?? or ??



P4/nmm

PCOD1000014
AlF3, a = 10.216 A, c = 7.241 A
Known as t-AlF3