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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=76731 Help
TitleCrystal and molecular structure of a metastable modification of phosphorus pentachloride.
AuthorsFinch, A.;Fitch, A.N.;Gates, P.N.
ReferenceIC&volume=1993&fpage=957&details=yes target=icsd_help>Journal of the Chemical Society. Chemica (1993) 1993, 957-958
Link XRef SCOPUS Google
CompoundCl5 P1 - Phosphorus pentachloride [AX5] [mS36] [j2 i4 d a] []
Cell8.7982(2), 8.4765(2), 12.3684(4), 90., 92.751(2), 90.
I12/M1 (12) V=921.35
RemarksR=0.133000 : S
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Atomic parameters from author
Metastable, R(Bragg)=0.073

Atom (site) Oxid. x, y, z, B, Occupancy
P1(2d)5
Cl1(4i)-1
Cl2(8j)-1
P2(4i)5
Cl3(4i)-1
Cl4(4i)-1
Cl5(8j)-1
Cl6(2a)-1
000.501
0.0800.6601
0.650.68-.0301
0.010.50.2401
0.2700.1901
0.6200.1401
0.510.180.3401
0000.061
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
P1(2d)5
Cl1(4i)-1
Cl2(8j)-1
P2(4i)5
Cl3(4i)-1
Cl4(4i)-1
Cl5(8j)-1
Cl6(2a)-1
0.030.060.0600.000
0.030.060.0600.000
0.030.060.0600.000
0.040.060.040-.000
0.040.060.040-.000
0.040.060.040-.000
0.040.060.040-.000
000000

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