The effort for determining NMR interaction tensors from orientation-dependent spectra of single crystals may be greatly reduced by exploiting symmetry relations between atoms of the observed nuclide in the unit cell, as is well documented in the literature. In this work, we determined both the full chemical shift (CS) tensor of ²⁰⁷Pb and the unknown orientation of the rotation axis for the natural mineral phosgenite, Pb₂Cl₂CO₃, from a single rotation pattern, i.e. spectra of crystal orientations from 0 to 180°. In the tetragonal crystal structure of phosgenite, four symmetry-related, but magnetically inequivalent ²⁰⁷Pb are generated by the Wyckoff multiplicity. The mineral wulfenite, PbMoO₄, also crystallises in a tetragonal space group, but the site multiplicity for ²⁰⁷Pb generates only one magnetically inequivalent atom, thus not supplying sufficient experimental data to determine CS tensor and axis orientation from an arbitrary number of rotation patterns. One solution to this problem is to simultaneously acquire data of a known compound with high symmetry and Wyckoff multiplicity (here: phosgenite), which supplies additional constraints making the solution of the target compound (here: wulfenite) possible. The ²⁰⁷Pb CS tensors thus determined are characterised by the following eigenvalues in ppm: ${\delta }_{11}^{PAS}=\left(-2553\pm 1\right)$, ${\delta }_{22}^{PAS}=\left(-1929\pm 1\right)$, ${\delta }_{33}^{PAS}=\left(-1301\pm 1\right)$ for phosgenite, and ${\delta }_{11}^{PAS}=\left(-2074\pm 1\right)$, ${\delta }_{22}^{PAS}=\left(-2074\pm 1\right)$, ${\delta }_{33}^{PAS}=\left(-1898\pm 1\right)$ for wulfenite.

通过利用晶胞中观察到的核素原子之间的对称关系，可以大大减少从单晶的取向相关光谱中确定NMR相互作用张量的工作，这在文献中已得到充分证明。在这项工作中，我们从单一旋转模式即晶体取向光谱中确定了²⁰⁷ Pb的全化学位移（CS）张量和天然矿物碳gen石Pb ₂ Cl ₂ CO ₃的旋转轴的未知方向从0到180°。在光气石的四方晶体结构中，Wyckoff产生了四个与对称有关但在磁性上不等价的²⁰⁷ Pb多样性。辉石矿物PbMoO ₄也在四边形空间群中结晶，但是²⁰⁷ Pb的位点多重性仅产生一个磁不等价原子，因此无法提供足够的实验数据来从任意数量的旋转模式确定CS张量和轴取向。该问题的一种解决方案是同时获取具有高对称性和Wyckoff多重性的已知化合物（此处为光辉石）的数据，这提供了附加的约束条件，从而有可能解决目标化合物（此处为辉石）。这样确定的²⁰⁷ Pb CS张量的特征在于以下特征值（ppm）：${\delta }_{11}^{P\mathrm{一种}\mathrm{小号}}=（-2553\pm \mathrm{1个}）$， ${\delta }_{22}^{P\mathrm{一种}\mathrm{小号}}=（-\mathrm{1929年}\pm \mathrm{1个}）$， ${\delta }_{33}^{P\mathrm{一种}\mathrm{小号}}=（-1301\pm \mathrm{1个}）$ 用于光辉石，和 ${\delta }_{11}^{P\mathrm{一种}\mathrm{小号}}=（-2074\pm \mathrm{1个}）$， ${\delta }_{22}^{P\mathrm{一种}\mathrm{小号}}=（-2074\pm \mathrm{1个}）$， ${\delta }_{33}^{P\mathrm{一种}\mathrm{小号}}=（-\mathrm{1898年}\pm \mathrm{1个}）$ 用于亚辉石。