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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=280375 Help
TitleStructures and phase transitions of the A7 P Se6 (A= Ag, Cu) argyrodite-type ionic conductors. II. beta- and gamma-Cu7 P Se6.
AuthorsGaudin, E.;Boucher, F.;Petricek, V.;Taulelle, F.;Evain, M.
ReferenceIC&volume=56&fpage=402&details=yes target=icsd_help>Acta Crystallographica B (2000) 56, 402-408
Link XRef SCOPUS Google
CompoundCu7 P1 Se6 - [Argyrodite] Heptacopper(I) tetraselenophosphate(V) diselenide - gamma [AB7X6] [cF56] [h2 e2 d c b] []
Cell10.113(1), 10.113(1), 10.113(1), 90., 90., 90.
F4-3M (216) V=1034.28
RemarksR=0.020100 : M =Argyrodite : T =353 : D
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.

Atom (site) Oxid. x, y, z, B, Occupancy
P1(4d)5
Se1(16e)-2
Se2(4c)-2
Se3(4b)-2
Cu1(48h)1
Cu2(48h)1
Cu3(16e)1
0.750.750.7501
0.870.870.8701
0.250.250.2501
0.50.50.501
0.070.070.2600.31
0.010.010.2700.17
0.120.120.3700.27
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
P1(4d)5
Se1(16e)-2
Se2(4c)-2
Se3(4b)-2
Cu1(48h)1
Cu2(48h)1
Cu3(16e)1
0.000.000.00000
0.010.010.01-.00-.00-.00
0.030.030.03000
0.020.020.02000
0.040.040.050.00-.00-.00
0.090.090.030.06-.01-.01
0.240.240.24-.10-.10-.10

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