COL ICSD Collection Code 31785 DATE Recorded Dec 31, 1981 NAME Zirconium phosphide (14/9) FORM Zr14 P9 = P9 Zr14 TITL The Crystal Structure of Zr14 P9 REF Acta Chemica Scandinavica, Series A: (28,1974-) ACAPC 35 (1981) 693-699 AUT Tergenius L E, Nolaeng’B’I, Lundstroem’T CELL a=16.715 b=27.572 c=3.674 ą=90.0 į=90.0 ē=90.0 V=1693.3 Z=4 SGR P n n m (58) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 0.000 4g 0.0507 0.5801 0. Zr 2 0.000 4g 0.0987 0.1047 0. Zr 3 0.000 4g 0.1189 0.7557 0. Zr 4 0.000 4g 0.1363 0.4692 0. Zr 5 0.000 4g 0.1374 0.3532 0. Zr 6 0.000 4g 0.1992 0.9904 0. Zr 7 0.000 4g 0.2016 0.8578 0. Zr 8 0.000 4g 0.2451 0.5836 0. Zr 9 0.000 4g 0.2673 0.1872 0. Zr 10 0.000 4g 0.3334 0.7621 0. Zr 11 0.000 4g 0.4305 0.4236 0. Zr 12 0.000 4g 0.4805 0.1774 0. Zr 13 0.000 4g 0.4865 0.6959 0. Zr 14 0.000 2d 0. 1/2 1/2 Zr 15 0.000 2a 0. 0. 0. P 1 0.000 4g 0.1323 0.658 0. P 2 0.000 4g 0.3423 0.6652 0. P 3 0.000 4g 0.0484 0.8571 0. P 4 0.000 4g 0.2688 0.4222 0. P 5 0.000 4g 0.2736 0.2859 0. P 6 0.000 4g 0.0475 0.2667 0. P 7 0.000 4g 0.4371 0.908 0. P 8 0.000 4g 0.3443 0.0378 0. P 9 0.000 4g 0.3959 0.5333 0. ITF Zr 1 B=0.1 ITF Zr 2 B=0.12 ITF Zr 3 B=0.04 ITF Zr 4 B=0.13 ITF Zr 5 B=0.1 ITF Zr 6 B=0.18 ITF Zr 7 B=0.3 ITF Zr 8 B=0.04 ITF Zr 9 B=0.18 ITF Zr 10 B=0.11 ITF Zr 11 B=0.16 ITF Zr 12 B=0.14 ITF Zr 13 B=0.19 ITF Zr 14 B=0.1 ITF Zr 15 B=0.03 ITF P 1 B=0.42 ITF P 2 B=0.07 ITF P 3 B=0.46 ITF P 4 B=0.33 ITF P 5 B=0.38 ITF P 6 B=0.21 ITF P 7 B=0.09 ITF P 8 B=0.06 ITF P 9 B=0.32 RVAL 0.108 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52)