Materials Data on Yb2Sn5Pd3 by Materials Project

Yb2Pd3Sn5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 1-coordinate geometry to five Pd and eight Sn atoms. There are a spread of Yb–Pd bond distances ranging from 2.92–3.38 Å. There are a spread of Yb–Sn bond distances ranging from 3.20–3.44 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Pd and six Sn atoms. Both Yb–Pd bond lengths are 3.29 Å. There are four shorter (3.24 Å) and two longer (3.27 Å) Yb–Sn bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three Yb and six Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.74–2.94 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Yb and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.69–2.83 Å. In the third Pd site, Pd is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.76–2.91 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Yb and four Pd atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Yb, three equivalent Pd, and one Sn atom. The Sn–Sn bond length is 3.10 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Yb and four Pd atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Yb and four Pd atoms. In the fifth Sn site, Sn is bonded in a 3-coordinate geometry to four Yb, three Pd, and one Sn atom.

Yb₂Pd₃Sn₅结晶于正交晶系（orthorhombic）Pnma空间群（space group）。
该晶体结构为三维骨架结构。该晶体中存在两个不等价的Yb位点。在第一个Yb位点中，Yb采用1配位几何（1-coordinate geometry）与5个Pd原子及8个Sn原子成键，Yb-Pd键长分布范围为2.92~3.38 Å，Yb-Sn键长分布范围为3.20~3.44 Å。
在第二个Yb位点中，Yb采用8配位几何（8-coordinate geometry）与2个等价Pd原子及6个Sn原子成键，Yb-Pd键长均为3.29 Å；Yb-Sn键长包含4个3.24 Å的较短键长与2个3.27 Å的较长键长。
该晶体中存在三个不等价的Pd位点。在第一个Pd位点中，Pd采用9配位几何（9-coordinate geometry）与3个Yb原子及6个Sn原子成键，Pd-Sn键长分布范围为2.74~2.94 Å。
在第二个Pd位点中，Pd采用9配位几何与4个等价Yb原子及5个Sn原子成键，Pd-Sn键长分布范围为2.69~2.83 Å。
在第三个Pd位点中，Pd采用7配位几何与7个Sn原子成键，Pd-Sn键长分布范围为2.76~2.91 Å。
该晶体中存在五个不等价的Sn位点。在第一个Sn位点中，Sn采用6配位几何与2个等价Yb原子及4个Pd原子成键。
在第二个Sn位点中，Sn采用5配位几何与2个等价Yb原子、3个等价Pd原子及1个Sn原子成键，Sn-Sn键长为3.10 Å。
在第三个Sn位点中，Sn采用12配位几何与4个等价Yb原子及4个Pd原子成键。
在第四个Sn位点中，Sn采用4配位几何与2个等价Yb原子及4个Pd原子成键。
在第五个Sn位点中，Sn采用3配位几何与4个Yb原子、3个Pd原子及1个Sn原子成键。