DOE OSTI2020
Mn(PO4)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Mn(PO4)2 sheet oriented in the (0, 1, 1) direction. there are two inequivalent Mn7+ sites. In the first Mn7+ site, Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.76–2.12 Å. In the second Mn7+ site, Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.75–2.11 Å. There are four inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the second P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the third P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the fourth P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom.