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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=250066 Help
TitleAtomic structure and mechanism of superionic conductivity of Li3.31 Ge0.31 P0.69 O4 single crystals.
AuthorsRabadanov, M.Kh.; Pietraszko, A.; Kireev, V.V.; Ivanov-Shits, A.K.; Simonov, V.I.
ReferenceKristallografiya (2003) 48, 802-807
Link XRef SCOPUS Google
CompoundGe0.31 Li3.05 O4 P0.69 - Lithium germanium phosphorus oxide (3.05/0.31/0.69/4) [AB3X4] [oP32] [d4 c6] []
Cell10.690(1), 6.1946(7), 5.0266(6), 90, 90, 90
PNMA (62) V=332.86
RemarksR=0.010800 : D
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Li1(8d)1
Li2(4c)1
P1(4c)5
Ge1(4c)4
Li3(8d)1
Li4(4c)1
Li5(4c)1
Li6(8d)1
O1(8d)-2
O2(4c)-2
O3(4c)-2
0.16-0.00.3100.85
0.070.250.6800.83
0.410.250.3200.69
0.410.250.3200.31
0.170.030.1400.10
0.090.250.8400.08
0.210.250.000.090.06
0.02-0.00.420.040.08
0.330.030.2101
0.050.250.2801
0.080.750.1401
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Li1(8d)1
Li2(4c)1
P1(4c)5
Ge1(4c)4
Li3(8d)1
Li4(4c)1
Li5(4c)1
Li6(8d)1
O1(8d)-2
O2(4c)-2
O3(4c)-2
0.020.020.02-0.00.00-0.0
0.020.020.030.00.010.0
0.000.000.010.0-0.00.0
0.000.000.010.0-0.00.0
0.020.020.02-0.00.00-0.0
0.020.020.030.00.010.0
000000
000000
0.030.030.030.000.000.00
0.040.020.030.0-0.00.0
0.040.020.040.00.000.0

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