Encyclopedia of Crystallographic Prototypes

ZrP${}_2$O${}_7$ ($K{6}_1$) High-Temperature Structure: A7B2C_cP40_205_ad_c_b-001

• This is the high temperature form of all the structures listed. The low temperature structure depends on the composition. Below 290°C ZrP${}_2$O${}_7$ transforms to an orthorhombic structure, space group $Pbca$ #61, with 136 unique crystallographic positions and 1080 atomic sites. See (Birkedal, 2006) and (Stinton, 2006) for more details.

Simple Cubic primitive vectors

References

• G. R. Levi and G. Peyronel, Struttura Cristallografica del Gruppo Isomorfo (Si${}^{4+}$, Ti${}^{4+}$, Zr${}^{4+}$, Sn${}^{4+}$, Hf${}^{4+}$) P${}_2$O${}_7$, Z. Kristallogr. 92, 190–209 (1935), doi:10.1524/zkri.1935.92.1.210.
• H. Birkedal, A. M. K. Andersen, A. Arakcheeva, G. Chapuis, P. Norby, and P. Pattison, The Room-Temperature Superstructure of ZrP${}_2$O${}_7$ Is Orthorhombic: There Are No Unusual 180${}^{\circ }$ P-O-P Bond Angles, Inorg. Chem. 45, 4346–4351 (2006), doi:10.1021/ic0600174.
• G. W. Stinton, M. R. Hampson, and J. S. O. Evans, The 136-Atom Structure of ZrP${}_2$O${}_7$ and HfP${}_2$O${}_7$ from Powder Diffraction Data, Inorg. Chem. 45, 4352–4358 (2006), doi:10.1021/ic060016b.

Found in

• R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).

Running:

Output: