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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=39560 Help
TitlePeculiarities of KTiOPO4 and KFeFPO4 crystal structures at 110K..
AuthorsBelokoneva, E.L.;Slovokhotova, O.L.;Antipin, M.Yu.;Tsirel'son, V.G.;Struchkov, Yu.T.
ReferenceIC&volume=322&fpage=520&details=yes target=icsd_help>Doklady Akademii Nauk SSSR (1992) 322, 520-524
Link XRef SCOPUS Google
CompoundF1 Fe1 K1 O4 P1 - Potassium iron fluoride phosphate [ABCXY4] [oP64] [a16] []
Cell12.847(3), 6.353(1), 10.642(2), 90., 90., 90.
PNA21 (33) V=868.57
RemarksR=0.026000 : T =110 :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Fe1(4a)3
Fe2(4a)3
P1(4a)5
P2(4a)5
K1(4a)1
K2(4a)1
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
O7(4a)-2
O8(4a)-2
F1(4a)-1
F2(4a)-1
0.380.49001
0.240.250.7501
0.490.320.7501
0.180.490.4901
0.370.770.7001
0.100.690.9401
0.480.480.8601
0.510.460.6301
0.400.190.7301
0.590.180.7601
0.110.300.4701
0.110.690.5201
0.250.530.3801
0.250.450.6101
0.220.020.6201
0.220.980.3701
Atom (site) Oxid. B11, B22, B33, B12, B13, B23
Fe1(4a)3
Fe2(4a)3
P1(4a)5
P2(4a)5
K1(4a)1
K2(4a)1
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
O7(4a)-2
O8(4a)-2
F1(4a)-1
F2(4a)-1
0.280.350.28-.020.00-.03
0.240.370.280.00-.010.02
0.230.370.340.010.040.00
0.240.350.32-.01-.020.02
1.230.610.860.25-.24-.06
0.520.871.060.180.000.00
0.540.490.56-.070.010.00
0.630.690.280.180.210.12
0.290.430.83-.06-.03-.03
0.370.590.430.05-.050.01
0.630.340.44-.02-.12-.02
0.600.290.770.080.050.01
0.490.690.610.120.220.21
0.510.780.30-.08-.110.23
0.570.710.450.01-.13-.07
0.230.500.70-.060.08-.09

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