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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaClO4 by Materials Project

NaClO4 is Zircon-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.42–2.74 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.46 Å. In the second O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO3 by Materials Project

NaClO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are three shorter (2.46 Å) and three longer (2.54 Å) Na–O bond lengths. O is bonded in a trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3ClO by Materials Project

Na3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Na–O bond lengths are 2.27 Å. All Na–Cl bond lengths are 3.21 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent ClNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Na1+ atoms to form ClNa12 cuboctahedra that share corners with twelve equivalent ClNa12 cuboctahedra, faces with six equivalent ClNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO2 by Materials Project

NaClO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six equivalent O atoms. There are a spread of Na–O bond distances ranging from 2.44–2.58 Å. O is bonded in a distorted see-saw-like geometry to three equivalent Na and one Cl atom. The O–Cl bond length is 1.59 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO4 by Materials Project

NaClO4 is Zircon-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight equivalent O atoms. There are four shorter (2.55 Å) and four longer (2.71 Å) Na–O bond lengths. O is bonded in a 3-coordinate geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO4 by Materials Project

NaClO4 is Iron carbide-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to twelve equivalent O atoms. All Na–O bond lengths are 3.09 Å. O is bonded in a single-bond geometry to three equivalent Na and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO3 by Materials Project

NaClO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six equivalent O atoms. There are three shorter (2.47 Å) and three longer (2.48 Å) Na–O bond lengths. O is bonded in a distorted T-shaped geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO4 by Materials Project

NaClO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.57–2.71 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Na and one Cl atom. The O–Cl bond length is 1.45 Å. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO3 by Materials Project

NaClO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to five O and two equivalent Cl atoms. There are a spread of Na–O bond distances ranging from 2.25–3.01 Å. There are one shorter (2.95 Å) and one longer (3.27 Å) Na–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.64 Å. Cl is bonded in a 3-coordinate geometry to two equivalent Na and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO3 by Materials Project

NaClO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to four O and two Cl atoms. There are a spread of Na–O bond distances ranging from 2.53–2.83 Å. There are one shorter (2.58 Å) and one longer (2.75 Å) Na–Cl bond lengths. In the second Na site, Na is bonded in a 8-coordinate geometry to four O and two Cl atoms. There are a spread of Na–O bond distances ranging from 2.53–2.86 Å. There are one shorter (2.57 Å) and one longer (2.73 Å) Na–Cl bond lengths. In the third Na site, Na is bonded in a 3-coordinate geometry to six O and three Cl atoms. There are a spread of Na–O bond distances ranging from 2.87–2.97 Å. There are a spread of Na–Cl bond distances ranging from 2.74–2.77 Å. In the fourth Na site, Na is bonded in a 8-coordinate geometry to five O and three Cl atoms. There are a spread of Na–O bond distances ranging from 2.51–2.83 Å. There are a spread of Na–Cl bond distances ranging from 2.55–3.26 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Na and one O atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. The O–O bond length is 1.24 Å. In the sixth O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in an L-shaped geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the eighth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. In the ninth O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one O atom. In the eleventh O site, O is bonded in an L-shaped geometry to one Na and one O atom. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to two Na and one O atom. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted linear geometry to two Na atoms. In the second Cl site, Cl is bonded in a distorted linear geometry to two Na atoms. In the third Cl site, Cl is bonded in a distorted linear geometry to three Na atoms. In the fourth Cl site, Cl is bonded in a trigonal non-coplanar geometry to three Na atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaClO2 by Materials Project

NaClO2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one NaClO2 sheet oriented in the (1, 1, 0) direction. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.48 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.34–2.47 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two Na and one Cl atom. The O–Cl bond length is 1.58 Å. In the second O site, O is bonded in a distorted T-shaped geometry to two Na and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two Na and one Cl atom. The O–Cl bond length is 1.58 Å. In the fourth O site, O is bonded in a distorted T-shaped geometry to two Na and one Cl atom. The O–Cl bond length is 1.58 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two O atoms.

36 MATERIALS SCIENCE↗