TY - JOUR

T1 - Introducing the crystalline phase of dicalcium phosphate monohydrate

AU - Lu, Bing-Qiang

AU - Willhammar, Tom

AU - Sun, Ben-Ben

AU - Hedin, Niklas

AU - Gale, Julian D.

AU - Gebauer, Denis

N1 - Funding information: B.Q.L. acknowledges financial support by the CSC-DAAD postdoc program for a postdoctoral stay at the University of Konstanz, and characterization help from Sheng-tong Sun and Min Ju. D.G. was a Research Fellow of the Zukunftskolleg of the University of Konstanz, and partly supported by the DFG-funded SFB 1214 of the University of Konstanz during this work. T.W. acknowledges a grant from the Swedish research council (VR, 2014-06948). J.D.G. acknowledges the support of the Australian Research Council through grant FL180100087, as well as the provision of computing resources by the Pawsey Supercomputing Centre and National Computational Infrastructure. We also acknowledge financial support from the Knut and Alice Wallenberg Foundation through the project grant 3DEM-NATUR (no. 2012.0112).

PY - 2020/3/24

Y1 - 2020/3/24

N2 - Calcium orthophosphates (CaPs) are important in geology, biomineralization, animal metabolism and biomedicine, and constitute a structurally and chemically diverse class of minerals. In the case of dicalcium phosphates, ever since brushite (CaHPO 4·2H 2O, dicalcium phosphate dihydrate, DCPD) and monetite (CaHPO 4, dicalcium phosphate, DCP) were first described in 19 th century, the form with intermediary chemical formula CaHPO 4·H 2O (dicalcium phosphate monohydrate, DCPM) has remained elusive. Here, we report the synthesis and crystal structure determination of DCPM. This form of CaP is found to crystallize from amorphous calcium hydrogen phosphate (ACHP) in water-poor environments. The crystal structure of DCPM is determined to show a layered structure with a monoclinic symmetry. DCPM is metastable in water, but can be stabilized by organics, and has a higher alkalinity than DCP and DCPD. This study serves as an inspiration for the future exploration of DCPM’s potential role in biomineralization, or biomedical applications.

AB - Calcium orthophosphates (CaPs) are important in geology, biomineralization, animal metabolism and biomedicine, and constitute a structurally and chemically diverse class of minerals. In the case of dicalcium phosphates, ever since brushite (CaHPO 4·2H 2O, dicalcium phosphate dihydrate, DCPD) and monetite (CaHPO 4, dicalcium phosphate, DCP) were first described in 19 th century, the form with intermediary chemical formula CaHPO 4·H 2O (dicalcium phosphate monohydrate, DCPM) has remained elusive. Here, we report the synthesis and crystal structure determination of DCPM. This form of CaP is found to crystallize from amorphous calcium hydrogen phosphate (ACHP) in water-poor environments. The crystal structure of DCPM is determined to show a layered structure with a monoclinic symmetry. DCPM is metastable in water, but can be stabilized by organics, and has a higher alkalinity than DCP and DCPD. This study serves as an inspiration for the future exploration of DCPM’s potential role in biomineralization, or biomedical applications.

UR - http://www.scopus.com/inward/record.url?scp=85082380950&partnerID=8YFLogxK

U2 - 10.1038/s41467-020-15333-6

DO - 10.1038/s41467-020-15333-6

M3 - Article

VL - 11

JO - Nature Communications

JF - Nature Communications

SN - 2041-1723

IS - 1

M1 - 1546

ER -