Table 1.
Refined atomic coordinates of dolomite-II [, a = 4.7407(10) Å
b = 5.3885(10) Å
c = 6.7430(10) Å α = 101.42(1)° β = 89.27(1)° γ = 95.72(1)° V = 168.01(5) Å3; R% 5.8] and selected, and
, 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) |
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1.998 (x6) |
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2.249 (x8) |
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1.263 (x3) |
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1.280 (x3) |