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. 2012 Aug 6;109(34):13509-13514. doi: 10.1073/pnas.1201336109

Table 1.

Refined atomic coordinates of dolomite-II [Inline graphic, a = 4.7407(10)  b = 5.3885(10)  c = 6.7430(10)  α = 101.42(1)° β = 89.27(1)° γ = 95.72(1)° V = 168.01(5) 3; R% 5.8] and selected, and Inline graphic, interatomic distances, from data collected at 34.4 GPa

Dolomite-II
Atoms x y z Uiso
Mg,Fe −0.2000(10) 0.7473(7) −0.2016(10) 0.0167(9)
Ca −0.2418(10) 0.7926(6) 0.3039(8) 0.0167(8)
C1 0.300(4) 0.730(3) −0.486(3) 0.013(2)
C2 0.262(4) 0.740(3) −0.014(4) 0.018(2)
O1 0.143(3) 0.586(2) −0.147(3) 0.0143(17)
O2 −0.129(3) 0.1226(19) −0.123(2) 0.0206(19)
O3 0.546(3) 0.742(2) 0.026(3) 0.0201(18)
O4 0.493(3) 0.863(2) −0.372(3) 0.0139(17)
O5 0.349(2) 0.5819(18) −0.638(2) 0.0190(19)
O6 0.041(3) 0.791(2) −0.447(3) 0.0169(18)
Inline graphic 1.998 (x6)
Inline graphic 2.249 (x8)
Inline graphic 1.263 (x3)
Inline graphic 1.280 (x3)