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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=412770 Help
TitleSingle crystal neutron diffraction study of the phase transition in (N H4) H5 (P O4)2.
AuthorsTroyanov, S.I.; Kosterina, E.V.; Loose, A.; Reehuis, M.; Kemnitz, E.
ReferenceZeitschrift fuer Kristallographie (2003) 218, 470-474
Link XRef SCOPUS Google
CompoundH9 N1 O8 P2 - Ammonium dihydrogenphosphate(V) trihydrogenhosphate(V) - alpha [A2XY8] [mP80] [e11] []
Cell10.040(4), 7.628(2), 9.558(3), 90., 102.51(4), 90.
P121/C1 (14) V=714.62
RemarksR=0.127000 : T =80 : N

Atom (site) Oxid. x, y, z, B, Occupancy
P1(4e)5
P2(4e)5
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
N1(4e)-3
H1(4e)1
H2(4e)1
H3(4e)1
H4(4e)1
H5(4e)1
H6(4e)1
H7(4e)1
H8(4e)1
H9(4e)1
0.440.180.190.001
0.070.190.300.001
0.570.100.160.001.
0.410.340.080.011.
0.330.050.160.001.
0.460.260.330.001
-.060.120.300.001.
0.100.330.420.001.
0.170.040.320.011
0.070.290.160.001
0.230.750.500.011.
0.56-.020.160.011
0.420.30-.010.021
0.260.050.230.021
-.06-.010.310.021
0.090.280.520.021
0.180.770.580.021
0.220.860.430.031
0.330.730.550.031
0.200.640.440.041
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
P1(4e)5
P2(4e)5
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
N1(4e)-3
H1(4e)1
H2(4e)1
H3(4e)1
H4(4e)1
H5(4e)1
H6(4e)1
H7(4e)1
H8(4e)1
H9(4e)1
0.000.000.00-0.00.00-0.0
0.000.000.00-0.00.00-0.0
0.010.000.01-0.00.000.00
0.010.010.000.000.000.00
0.010.000.01-0.00.00-0.0
0.010.000.000.00-0.00.00
0.010.000.000.000.00-0.0
0.010.000.00-0.00.00-0.0
0.000.010.010.000.000.00
0.010.000.000.000.00-0.0
0.010.010.000.000.000.00
0.020.010.02-0.00.000.00
0.030.020.010.00-0.0-0.0
0.020.010.02-0.00.00-0.0
0.020.010.02-0.00.000.00
0.030.010.010.00-0.00.00
0.030.030.020.000.010.00
0.030.040.020.010.000.00
0.020.020.050.000.000.00
0.040.030.03-0.00.01-0.0

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