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Materials Data on BaCd2 by Materials Project

BaCd2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve equivalent Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.62–3.89 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Ba and four equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.06–3.20 Å.

36 MATERIALS SCIENCE↗

Materials Data on BaCd11 by Materials Project

BaCd11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eighteen Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.76–3.95 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.01–3.22 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Ba and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–3.46 Å. In the third Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ba and twelve Cd atoms.

36 MATERIALS SCIENCE↗

Materials Data on BaCd by Materials Project

BaCd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ba–Cd bond lengths are 3.71 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ba2Cd by Materials Project

CdBa2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two CdBa2 sheets oriented in the (0, 0, 1) direction. Ba is bonded in a 4-coordinate geometry to four equivalent Cd atoms. All Ba–Cd bond lengths are 3.67 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ba7Cd31 by Materials Project

Ba7Cd31 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to twenty Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.57–3.98 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to twenty Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.63–3.98 Å. In the third Ba site, Ba is bonded in a 6-coordinate geometry to sixteen Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.49–3.91 Å. In the fourth Ba site, Ba is bonded in a 9-coordinate geometry to fifteen Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.49–3.71 Å. There are eight inequivalent Cd sites. In the first Cd site, Cd is bonded in a 8-coordinate geometry to four Ba and four Cd atoms. There are two shorter (2.99 Å) and two longer (3.25 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to four Ba and eight Cd atoms to form a mixture of edge, face, and corner-sharing CdBa4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.96–3.28 Å. In the third Cd site, Cd is bonded to four Ba and eight Cd atoms to form a mixture of edge, face, and corner-sharing CdBa4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.96–3.28 Å. In the fourth Cd site, Cd is bonded in a 9-coordinate geometry to three Ba and six Cd atoms. There are two shorter (3.11 Å) and two longer (3.16 Å) Cd–Cd bond lengths. In the fifth Cd site, Cd is bonded in a distorted body-centered cubic geometry to four Ba and four Cd atoms. There are three shorter (2.96 Å) and one longer (3.18 Å) Cd–Cd bond lengths. In the sixth Cd site, Cd is bonded in a body-centered cubic geometry to four Ba and four Cd atoms. There are three shorter (2.96 Å) and one longer (3.09 Å) Cd–Cd bond lengths. In the seventh Cd site, Cd is bonded in a 12-coordinate geometry to four Ba and eight Cd atoms. Both Cd–Cd bond lengths are 3.45 Å. In the eighth Cd site, Cd is bonded in a 11-coordinate geometry to four Ba and seven Cd atoms.

36 MATERIALS SCIENCE↗

Materials Data on BaCd3 by Materials Project

BaCd3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded to twelve Cd atoms to form a mixture of distorted corner and face-sharing BaCd12 cuboctahedra. There are a spread of Ba–Cd bond distances ranging from 3.63–3.81 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.23 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are one shorter (3.12 Å) and two longer (3.23 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms.

36 MATERIALS SCIENCE↗