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DOE OSTI2020

Materials Data on As8S9 by Materials Project

As4S5(SAs)4 crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two tetraarsenic tetrasulfide molecules and two As4S5 clusters. In each As4S5 cluster, there are two inequivalent As+2.25+ sites. In the first As+2.25+ site, As+2.25+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) As–S bond lengths. In the second As+2.25+ site, As+2.25+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.27 Å) and two longer (2.28 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As+2.25+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent As+2.25+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As+2.25+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As4S5 by Materials Project

As4S5 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two As4S5 clusters. there are three inequivalent As+2.50+ sites. In the first As+2.50+ site, As+2.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.29 Å. In the second As+2.50+ site, As+2.50+ is bonded in a water-like geometry to two equivalent S2- atoms. Both As–S bond lengths are 2.28 Å. In the third As+2.50+ site, As+2.50+ is bonded in a water-like geometry to two equivalent S2- atoms. Both As–S bond lengths are 2.26 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent As+2.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As+2.50+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsS by Materials Project

SAs is alpha Selenium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetraarsenic tetrasulfide molecules. there are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. Both As–S bond lengths are 2.26 Å. In the second As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.27 Å) As–S bond lengths. In the third As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. Both As–S bond lengths are 2.25 Å. In the fourth As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. Both As–S bond lengths are 2.26 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsS by Materials Project

SAs crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four tetraarsenic tetrasulfide molecules. there are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. Both As–S bond lengths are 2.26 Å. In the second As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.25 Å) and one longer (2.26 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent As2+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsS by Materials Project

SAs is High Pressure (4-7GPa) Tellurium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SAs clusters. there are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.30 Å. In the second As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.27 Å) and one longer (2.30 Å) As–S bond lengths. In the third As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.22 Å. In the fourth As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.27 Å) and one longer (2.30 Å) As–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As4S3 by Materials Project

As4S3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetraarsenic trisulfide molecules. there are three inequivalent As+1.50+ sites. In the first As+1.50+ site, As+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.26 Å) and one longer (2.27 Å) As–S bond lengths. In the second As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.23 Å. In the third As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.23 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As+1.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2S3 by Materials Project

As2S3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two As2S3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.31 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.29 Å) and one longer (2.30 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two As3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As3+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As12S13 by Materials Project

As(SAs)9As14S17 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one arsenic molecule, one As14S17 cluster, and one SAs cluster. In the As14S17 cluster, there are fourteen inequivalent As+2.17+ sites. In the first As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.19 Å. In the second As+2.17+ site, As+2.17+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.35 Å. In the third As+2.17+ site, As+2.17+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.34 Å) and one longer (2.36 Å) As–S bond lengths. In the fourth As+2.17+ site, As+2.17+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.28 Å) and one longer (2.62 Å) As–S bond lengths. In the fifth As+2.17+ site, As+2.17+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.24 Å) and one longer (2.39 Å) As–S bond lengths. In the sixth As+2.17+ site, As+2.17+ is bonded in a T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.24–2.70 Å. In the seventh As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.25 Å. In the eighth As+2.17+ site, As+2.17+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.31 Å) and one longer (2.33 Å) As–S bond lengths. In the ninth As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.26 Å. In the tenth As+2.17+ site, As+2.17+ is bonded in a distorted single-bond geometry to one S2- atom. The As–S bond length is 2.45 Å. In the eleventh As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.36 Å. In the twelfth As+2.17+ site, As+2.17+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.07–2.97 Å. In the thirteenth As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.37 Å. In the fourteenth As+2.17+ site, As+2.17+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.10 Å) and one longer (2.43 Å) As–S bond lengths. There are seventeen inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one As+2.17+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one As+2.17+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to one S2- atom. The S–S bond length is 1.98 Å. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to one As+2.17+ and one S2- atom. The S–S bond length is 2.03 Å. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to one As+2.17+ and one S2- atom. In the sixth S2- site, S2- is bonded in a bent 120 degrees geometry to two As+2.17+ atoms. In the seventh S2- site, S2- is bonded in a bent 120 degrees geometry to two As+2.17+ atoms. In the eighth S2- site, S2- is bonded in a distorted water-like geometry to one As+2.17+ and one S2- atom. The S–S bond length is 2.01 Å. In the ninth S2- site, S2- is bonded in a 3-coordinate geometry to two As+2.17+ and one S2- atom. The S–S bond length is 2.07 Å. In the tenth S2- site, S2- is bonded in a distorted single-bond geometry to one As+2.17+ and one S2- atom. In the eleventh S2- site, S2- is bonded in a 1-coordinate geometry to one As+2.17+ and one S2- atom. In the twelfth S2- site, S2- is bonded in a 3-coordinate geometry to three As+2.17+ atoms. In the thirteenth S2- site, S2- is bonded in a distorted water-like geometry to one As+2.17+ and one S2- atom. The S–S bond length is 2.01 Å. In the fourteenth S2- site, S2- is bonded in a distorted L-shaped geometry to two As+2.17+ atoms. In the fifteenth S2- site, S2- is bonded in a 3-coordinate geometry to two As+2.17+ and one S2- atom. In the sixteenth S2- site, S2- is bonded in a 3-coordinate geometry to three As+2.17+ atoms. In the seventeenth S2- site, S2- is bonded in a distorted water-like geometry to one As+2.17+ and one S2- atom. In the SAs cluster, there are nine inequivalent As+2.17+ sites. In the first As+2.17+ site, As+2.17+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.21 Å) and one longer (2.43 Å) As–S bond lengths. In the second As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 3.05 Å. In the third As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the fourth As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.30 Å. In the fifth As+2.17+ site, As+2.17+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.41 Å) As–S bond lengths. In the sixth As+2.17+ site, As+2.17+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.28 Å) and one longer (2.33 Å) As–S bond lengths. In the seventh As+2.17+ site, As+2.17+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.22 Å. In the eighth As+2.17+ site, As+2.17+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.27 Å) and one longer (2.33 Å) As–S bond lengths. In the ninth As+2.17+ site, As+2.17+ is bonded in a bent 150 degrees geometry to two S2- atoms. There are one shorter (2.41 Å) and one longer (2.58 Å) As–S bond lengths. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two As+2.17+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two As+2.17+ atoms. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to one As+2.17+ and one S2- atom. The S–S bond length is 2.02 Å. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to two As+2.17+ and one S2- atom. The S–S bond length is 2.06 Å. In the fifth S2- site, S2- is bonded in a water-like geometry to one As+2.17+ and one S2- atom. In the sixth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three As+2.17+ atoms. In the seventh S2- site, S2- is bonded in a distorted water-like geometry to one As+2.17+ and one S2- atom. In the eighth S2- site, S2- is bonded in a distorted water-like geometry to one As+2.17+ and one S2- atom. The S–S bond length is 2.07 Å. In the ninth S2- site, S2- is bonded in a distorted water-like geometry to one As+2.17+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsS by Materials Project

SAs crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two arsenic compounds molecules; one As4S3 cluster; one SAs cluster; one SSAs cluster; one As3S4 ribbon oriented in the (1, 0, 0) direction; and two SAs ribbons oriented in the (1, 0, 0) direction. In the As4S3 cluster, there are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.27 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the third As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.28 Å) and one longer (2.29 Å) As–S bond lengths. In the fourth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.26 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two As2+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two As2+ atoms. In the SAs cluster, there are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.31 Å. In the second As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.32 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one As2+ and one S2- atom. The S–S bond length is 2.09 Å. In the second S2- site, S2- is bonded in a distorted water-like geometry to one As2+ and one S2- atom. In the SSAs cluster, there are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.30 Å) and one longer (2.35 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.29 Å) and one longer (2.35 Å) As–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.05 Å) and one longer (2.06 Å) S–S bond lengths. In the third S2- site, S2- is bonded in a distorted water-like geometry to one As2+ and one S2- atom. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to one As2+ and one S2- atom. In the As3S4 ribbon, there are three inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.25–2.36 Å. In the second As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.33 Å) As–S bond lengths. In the third As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one As2+ and one S2- atom. The S–S bond length is 2.04 Å. In the second S2- site, S2- is bonded in a distorted water-like geometry to one As2+ and one S2- atom. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In one of the SAs ribbons, there are five inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.30 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.11–2.86 Å. In the third As2+ site, As2+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.32 Å. In the fourth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.31 Å. In the fifth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one As2+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to three As2+ atoms. In one of the SAs ribbons, there are six inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.31 Å. In the second As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.27 Å) and one longer (2.34 Å) As–S bond lengths. In the third As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. In the fourth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fifth As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.25 Å) and one longer (2.27 Å) As–S bond lengths. In the sixth As2+ site, As2+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.30 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two As2+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to two As2+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsS by Materials Project

SAs crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of two SAs ribbons oriented in the (0, 0, 1) direction. there are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of As–S bond distances ranging from 2.44–2.93 Å. In the second As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.29 Å) and one longer (2.36 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four As2+ atoms to form distorted corner-sharing SAs4 trigonal pyramids. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three As2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2S by Materials Project

As2S crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. As1+ is bonded in a linear geometry to two equivalent S2- atoms. Both As–S bond lengths are 2.56 Å. S2- is bonded in a 4-coordinate geometry to four equivalent As1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsS by Materials Project

SAs crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two SAs sheets oriented in the (0, 0, 1) direction. there are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.22 Å) and two longer (2.39 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.39–2.82 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three As2+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three As2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2S3 by Materials Project

As2S3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two As2S3 sheets oriented in the (0, 0, 1) direction. there are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. All As–S bond lengths are 2.30 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.30 Å. In the third As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.30 Å. In the fourth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.29 Å) and two longer (2.30 Å) As–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As3+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As3+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As3+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two As3+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two As3+ atoms.

36 MATERIALS SCIENCE↗