DOI: 10.17188/1704596
title: Materials Data on Na2H8WO12 by Materials Project

description: Na2WH8O12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to one H and six O atoms to form distorted NaHO6 pentagonal bipyramids that share a cornercorner with one WO8 hexagonal bipyramid and an edgeedge with one WO8 hexagonal bipyramid. The Na–H bond length is 2.53 Å. There are a spread of Na–O bond distances ranging from 2.28–2.70 Å. In the second Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.68 Å. W is bonded to eight O atoms to form distorted WO8 hexagonal bipyramids that share a cornercorner with one NaHO6 pentagonal bipyramid and an edgeedge with one NaHO6 pentagonal bipyramid. There are a spread of W–O bond distances ranging from 1.99–2.03 Å. There are eight inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99 Å) and one longer (1.72 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one Na and one O atom. The H–O bond length is 0.97 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the seventh H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.75 Å) H–O bond length. In the eighth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Na, one W, and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded in a 5-coordinate geometry to two Na, one W, one H, and one O atom. In the third O site, O is bonded in a 1-coordinate geometry to one W and one O atom. The O–O bond length is 1.51 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to one W, one H, and one O atom. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na, one W, and one O atom. The O–O bond length is 1.51 Å. In the sixth O site, O is bonded in a 1-coordinate geometry to one W and one O atom. In the seventh O site, O is bonded in a 3-coordinate geometry to one Na, one W, and one O atom. The O–O bond length is 1.51 Å. In the eighth O site, O is bonded in a 1-coordinate geometry to one W and one O atom. In the ninth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na and two H atoms. In the tenth O site, O is bonded in a distorted water-like geometry to two Na and two H atoms. In the eleventh O site, O is bonded in a distorted water-like geometry to one Na and two H atoms. In the twelfth O site, O is bonded in a distorted water-like geometry to one Na and two H atoms.