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DOE OSTI2020

Materials Data on Al2HgS4 by Materials Project

HgAl2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with eight AlS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu2SnHgS4 by Materials Project

Cu2HgSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra, corners with four equivalent HgS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.47 Å. S2- is bonded to two equivalent Cu1+, one Hg2+, and one Sn4+ atom to form corner-sharing SCu2SnHg tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnHgS2 by Materials Project

MnHgS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Mn2+ is bonded to four S2- atoms to form MnS4 tetrahedra that share corners with six equivalent MnS4 tetrahedra and corners with six equivalent HgS4 tetrahedra. There are one shorter (2.39 Å) and three longer (2.47 Å) Mn–S bond lengths. Hg2+ is bonded to four S2- atoms to form HgS4 tetrahedra that share corners with six equivalent MnS4 tetrahedra and corners with six equivalent HgS4 tetrahedra. There are one shorter (2.57 Å) and three longer (2.58 Å) Hg–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Mn2+ and one Hg2+ atom to form corner-sharing SMn3Hg tetrahedra. In the second S2- site, S2- is bonded to one Mn2+ and three equivalent Hg2+ atoms to form corner-sharing SMnHg3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu2SiHgS4 by Materials Project

Cu2HgSiS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra, corners with four equivalent HgS4 tetrahedra, and corners with four equivalent SiS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.31–2.34 Å. Hg2+ is bonded to four S2- atoms to form HgS4 tetrahedra that share corners with four equivalent SiS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are a spread of Hg–S bond distances ranging from 2.59–2.61 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are two shorter (2.16 Å) and two longer (2.17 Å) Si–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+, one Hg2+, and one Si4+ atom to form distorted corner-sharing SCu2SiHg tetrahedra. In the second S2- site, S2- is bonded to two equivalent Cu1+, one Hg2+, and one Si4+ atom to form corner-sharing SCu2SiHg tetrahedra. In the third S2- site, S2- is bonded to two equivalent Cu1+, one Hg2+, and one Si4+ atom to form corner-sharing SCu2SiHg tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlHgAsS3 by Materials Project

HgTlAsS3 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Hg2+ is bonded to four S2- atoms to form distorted HgS4 tetrahedra that share corners with two equivalent HgS4 tetrahedra and corners with two equivalent TlS4 tetrahedra. There are two shorter (2.55 Å) and two longer (2.83 Å) Hg–S bond lengths. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a distorted L-shaped geometry to two equivalent S2- atoms. Both Tl–S bond lengths are 2.92 Å. In the second Tl1+ site, Tl1+ is bonded to four equivalent S2- atoms to form TlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra. All Tl–S bond lengths are 3.02 Å. As3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.27 Å) and one longer (2.35 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Hg2+, one Tl1+, and one As3+ atom to form corner-sharing STlHg2As tetrahedra. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Hg2+, one Tl1+, and one As3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Hg3S4 by Materials Project

K2Hg3S4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded to six S2- atoms to form distorted KS6 octahedra that share corners with four equivalent HgS4 tetrahedra, edges with six equivalent KS6 octahedra, and an edgeedge with one HgS4 tetrahedra. There are a spread of K–S bond distances ranging from 3.29–3.42 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four S2- atoms to form HgS4 tetrahedra that share corners with eight equivalent KS6 octahedra and edges with two equivalent KS6 octahedra. The corner-sharing octahedra tilt angles range from 27–87°. There are two shorter (2.62 Å) and two longer (2.64 Å) Hg–S bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.40–3.22 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent K1+ and three Hg2+ atoms. In the second S2- site, S2- is bonded to three equivalent K1+ and three Hg2+ atoms to form a mixture of distorted edge and corner-sharing SK3Hg3 octahedra. The corner-sharing octahedra tilt angles range from 4–69°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Hg3(GeS4)2 by Materials Project

Rb2Hg3(GeS4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.38–3.98 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four S2- atoms to form distorted HgS4 trigonal pyramids that share corners with four equivalent GeS4 tetrahedra and corners with two equivalent HgS4 trigonal pyramids. There are a spread of Hg–S bond distances ranging from 2.48–2.89 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (3.30 Å) Hg–S bond lengths. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with four equivalent HgS4 trigonal pyramids. There are a spread of Ge–S bond distances ranging from 2.21–2.29 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Hg2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, two Hg2+, and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnHgS2 by Materials Project

HgZnS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Hg2+ is bonded to four S2- atoms to form HgS4 tetrahedra that share corners with six equivalent HgS4 tetrahedra and corners with six equivalent ZnS4 tetrahedra. All Hg–S bond lengths are 2.56 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with six equivalent HgS4 tetrahedra and corners with six equivalent ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.43 Å) Zn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Hg2+ and three equivalent Zn2+ atoms to form corner-sharing SZn3Hg tetrahedra. In the second S2- site, S2- is bonded to three equivalent Hg2+ and one Zn2+ atom to form corner-sharing SZnHg3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr2HgS4 by Materials Project

HgCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent HgS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.42 Å. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Hg–S bond lengths are 2.55 Å. S2- is bonded to three equivalent Cr3+ and one Hg2+ atom to form a mixture of distorted corner and edge-sharing SCr3Hg tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2HgS4 by Materials Project

HgIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Hg–S bond lengths are 2.60 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent HgS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.65 Å. S2- is bonded to one Hg2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SIn3Hg trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnHg2C6(SN)6 by Materials Project

MnHg2C6(NS)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted trigonal bipyramidal geometry to five N3- atoms. There are a spread of Mn–N bond distances ranging from 2.04–2.17 Å. In the second Mn2+ site, Mn2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Mn–N bond distances ranging from 1.93–1.96 Å. There are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to two equivalent N3- and three S2- atoms to form distorted HgS3N2 square pyramids that share a cornercorner with one HgS4 trigonal pyramid and an edgeedge with one HgS3N2 square pyramid. There are one shorter (2.55 Å) and one longer (2.98 Å) Hg–N bond lengths. There are a spread of Hg–S bond distances ranging from 2.48–3.00 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted tetrahedral geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.50–2.78 Å. In the third Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Hg–S bond distances ranging from 2.48–3.36 Å. In the fourth Hg2+ site, Hg2+ is bonded to four S2- atoms to form distorted corner-sharing HgS4 trigonal pyramids. There are a spread of Hg–S bond distances ranging from 2.57–2.81 Å. There are twelve inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.65 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the fourth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the fifth C4+ site, C4+ is bonded in a linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. In the sixth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.62 Å. In the seventh C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the eighth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the ninth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the tenth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the eleventh C4+ site, C4+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. In the twelfth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. There are twelve inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Mn2+ and one C4+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one C4+ atom. In the sixth N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Hg2+ and one C4+ atom. In the seventh N3- site, N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. In the eighth N3- site, N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. In the ninth N3- site, N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. In the tenth N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one C4+ atom. In the eleventh N3- site, N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. In the twelfth N3- site, N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two Hg2+ and one C4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Hg2+ and one C4+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to one Hg2+ and one C4+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom. In the fifth S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom. In the sixth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one C4+ atom. In the seventh S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom. In the eighth S2- site, S2- is bonded in an L-shaped geometry to one Hg2+ and one C4+ atom. In the ninth S2- site, S2- is bonded in a distorted water-like geometry to one Hg2+ and one C4+ atom. In the tenth S2- site, S2- is bonded in a 2-coordinate geometry to two Hg2+ and one C4+ atom. In the eleventh S2- site, S2- is bonded in an L-shaped geometry to one Hg2+ and one C4+ atom. In the twelfth S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdHgS4 by Materials Project

CdHgS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of two cadmium molecules and one HgS4 framework. In the HgS4 framework, Hg2+ is bonded in a 8-coordinate geometry to two equivalent Hg2+ and eight equivalent S1- atoms. Both Hg–Hg bond lengths are 3.01 Å. There are four shorter (3.29 Å) and four longer (3.32 Å) Hg–S bond lengths. S1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and two equivalent S1- atoms. Both S–S bond lengths are 2.15 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al2HgS4 by Materials Project

HgAl2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with twelve equivalent AlS6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Hg–S bond lengths are 2.53 Å. Al3+ is bonded to six equivalent S2- atoms to form AlS6 octahedra that share corners with six equivalent HgS4 tetrahedra and edges with six equivalent AlS6 octahedra. All Al–S bond lengths are 2.45 Å. S2- is bonded to one Hg2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SAl3Hg tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgS by Materials Project

HgS is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form corner-sharing HgS4 tetrahedra. All Hg–S bond lengths are 2.60 Å. S2- is bonded to four equivalent Hg2+ atoms to form corner-sharing SHg4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2Hg6S7 by Materials Project

Cs2Hg6S7 crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.59–3.71 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to six S2- atoms. There are a spread of Hg–S bond distances ranging from 2.40–3.53 Å. In the second Hg2+ site, Hg2+ is bonded to four S2- atoms to form corner-sharing HgS4 trigonal pyramids. There are a spread of Hg–S bond distances ranging from 2.53–2.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four Hg2+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and four equivalent Hg2+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and four Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgPS3 by Materials Project

HgPS3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one HgPS3 sheet oriented in the (0, 0, 1) direction. Hg1+ is bonded to four S2- atoms to form distorted edge-sharing HgS4 tetrahedra. There are a spread of Hg–S bond distances ranging from 2.50–2.78 Å. P5+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.02–2.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg1+ and one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Hg1+ and one P5+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Hg1+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlHgAsS3 by Materials Project

HgTlAsS3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Hg2+ is bonded to four S2- atoms to form distorted corner-sharing HgS4 tetrahedra. There are two shorter (2.53 Å) and two longer (2.72 Å) Hg–S bond lengths. Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.15–3.68 Å. As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.25 Å) and two longer (2.29 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Hg2+, three equivalent Tl1+, and one As3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Hg2+, one Tl1+, and one As3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgHgAsS3 by Materials Project

AgHgAsS3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.55–2.88 Å. Hg2+ is bonded to four S2- atoms to form corner-sharing HgS4 tetrahedra. There are a spread of Hg–S bond distances ranging from 2.52–2.79 Å. As3+ is bonded in a 4-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+, one Hg2+, and one As3+ atom to form corner-sharing SAg2HgAs tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two equivalent Hg2+, and one As3+ atom. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+, one Hg2+, and one As3+ atom.

36 MATERIALS SCIENCE↗