Materials Data on Dy3B7W by Materials Project

Dy3WB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Dy–B bond distances ranging from 2.66–2.74 Å. In the second Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Dy–B bond distances ranging from 2.65–3.40 Å. W6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of W–B bond distances ranging from 2.33–2.38 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Dy3+ and three B+2.14- atoms. There is one shorter (1.84 Å) and two longer (1.98 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.91 Å) and one longer (1.96 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Dy3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.82 Å) and one longer (1.85 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to five Dy3+, two equivalent W6+, and two equivalent B+2.14- atoms.

Dy3WB7结晶于正交晶系（orthorhombic）Cmcm空间群。该结构为三维骨架结构。体系中存在两类不等价的Dy³+位点。在第一类Dy³+位点中，Dy³+采取11配位几何构型，与11个电荷为+2.14的硼（B+2.14⁻）原子成键。Dy-B键的键长分布范围为2.66~2.74埃（Å）。在第二类Dy³+位点中，Dy³+同样采取11配位几何构型，与11个B+2.14⁻原子成键，其Dy-B键键长分布范围为2.65~3.40 Å。六价钨（W⁶+）采取10配位几何构型，与10个B+2.14⁻原子成键，W-B键的键长分布范围为2.33~2.38 Å。体系中存在四类不等价的B+2.14⁻位点。在第一类B+2.14⁻位点中，该硼原子采取9配位几何构型，与6个Dy³+和3个B+2.14⁻原子成键，存在1条较短的B-B键（键长1.84 Å）以及2条较长的B-B键（键长1.98 Å）。在第二类B+2.14⁻位点中，该硼原子采取9配位几何构型，与4个Dy³+、2个等价的W⁶+以及3个B+2.14⁻原子成键，存在1条较短的B-B键（1.91 Å）与1条较长的B-B键（1.96 Å）。在第三类B+2.14⁻位点中，该硼原子采取9配位几何构型，与4个等价的Dy³+、2个等价的W⁶+以及3个B+2.14⁻原子成键，存在1条较短的B-B键（1.82 Å）与1条较长的B-B键（1.85 Å）。在第四类B+2.14⁻位点中，该硼原子采取8配位几何构型，与5个Dy³+、2个等价的W⁶+以及2个等价的B+2.14⁻原子成键。