Nanotube structure of AsPS4–xSex (x = 0, 1)

Single-wall nanotubes of isostructural AsPS4−xSex (x = 0, 1) are grown from solid-state reaction of stoichiometric amounts of the elements. The structure of AsPS4 was determined using single-crystal X-ray diffraction and refined in space group P1. The infinite, single-walled AsPS4 nanotubes have an outer diameter of ≈1.1 nm and are built of corner-sharing PS4 tetrahedra and AsS3 trigonal pyramids. Each nanotube is nearly hexagonal, but the ≈3.4 Å distance between S atoms on adjacent nanotubes allows them to easily slide past one another, resulting in the loss of long-range order. Substituting S with Se disrupted the crystallization of the nanotubes, resulting in amorphous products that precluded the determination of the structure for AsPS3Se. 31P solid-state NMR spectroscopy indicated a single unique tetrahedral P environment in AsPS4 and five different P environments all with different degrees of Se substitution in AsPS3Se. Optical absorption spectroscopy revealed an energy band gap of..., The photocurrent measurements were collected on AsPS4 microfibers of diameters in the range of 10−20 μm dispersed on a glass slide and contacted with tungsten probe tips for electrical measurements under ambient conditions. The detailed methods is described in the publication https://pubs.acs.org/doi/10.1021/acs.inorgchem.3c03952, , # Data from: Nanotube structure of AsPS4−xSex (x = 0, 1)

[https://doi.org/10.5061/dryad.xsj3tx9pv](https://doi.org/10.5061/dryad.xsj3tx9pv)

## Description of the data and file structure

Two text files are uploaded for current-voltage characteristics in dark (Dark IV.txt) and under illumination (Light IV.txt).

An optical image of the device is also uploaded. The collection of photocurrent data was supported by Northwestern’s MRSEC program (NSF DMR-2308691) which requires sharing raw data. So, this data only includes the experimental work supported by this grant.

## Sharing/Access information

Links to other publicly accessible locations of the data:

* [https://doi.org/10.1021/acs.inorgchem.3c03952](https://doi.org/10.1021/acs.inorgchem.3c03952)