The crystal structure of masutomilite from Tanakamiyama, Ohtsu, Japan, has been refined by the X-ray single crystal method. The chemical formula is (K
1.79 Na
0.15 Rb
0.14)
2.08 (Li
2.54 Mn
0.992+ Fe
0.182+ Fe
0.063+ Al
1.96 Ti
0.01)
5.74 (Si
6.65 Al
1.35)
8.00 O
19.64 (F
3.16 (OH)
1.20)
4.36 and the crystal data are as follows: monoclinic,
C2,
a = 5.262(2),
b = 9.102(3),
c = 10.094(3)Å, β = 100.83(2)°,
Z = 1. The final
R-value converged to 0.046 (
wR = 0.052), using 519 independent reflections. The octahedral cation ordering, small Al and Fe
3+ in the M(2) site, and the remaining large Li and Mn
2+ in the M(1) and M(3) sites, results in the non-centrosymmetric
C2 structure. The mean bond length of M(2)–O is 1.89Å, and those of M(1)–O and M(3)–O are 2.13 and 2.12Å, respectively.
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