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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
Title	Peculiarities of KTiOPO4 and KFeFPO4 crystal structures at 110K..
Authors	Belokoneva, E.L.;Slovokhotova, O.L.;Antipin, M.Yu.;Tsirel'son, V.G.;Struchkov, Yu.T.
Reference	IC&volume=322&fpage=520&details=yes target=icsd_help>Doklady Akademii Nauk SSSR (1992) 322, 520-524 Link XRef SCOPUS Google
Compound	F1 Fe1 K1 O4 P1 - Potassium iron fluoride phosphate [ABCXY4] [oP64] [a16] []
Cell	12.847(3), 6.353(1), 10.642(2), 90., 90., 90. PNA21 (33) V=868.57
Remarks	R=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

0.38	0.49	0	1
0.24	0.25	0.75	1
0.49	0.32	0.75	1
0.18	0.49	0.49	1
0.37	0.77	0.70	1
0.10	0.69	0.94	1
0.48	0.48	0.86	1
0.51	0.46	0.63	1
0.40	0.19	0.73	1
0.59	0.18	0.76	1
0.11	0.30	0.47	1
0.11	0.69	0.52	1
0.25	0.53	0.38	1
0.25	0.45	0.61	1
0.22	0.02	0.62	1
0.22	0.98	0.37	1

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

0.28	0.35	0.28	-.02	0.00	-.03
0.24	0.37	0.28	0.00	-.01	0.02
0.23	0.37	0.34	0.01	0.04	0.00
0.24	0.35	0.32	-.01	-.02	0.02
1.23	0.61	0.86	0.25	-.24	-.06
0.52	0.87	1.06	0.18	0.00	0.00
0.54	0.49	0.56	-.07	0.01	0.00
0.63	0.69	0.28	0.18	0.21	0.12
0.29	0.43	0.83	-.06	-.03	-.03
0.37	0.59	0.43	0.05	-.05	0.01
0.63	0.34	0.44	-.02	-.12	-.02
0.60	0.29	0.77	0.08	0.05	0.01
0.49	0.69	0.61	0.12	0.22	0.21
0.51	0.78	0.30	-.08	-.11	0.23
0.57	0.71	0.45	0.01	-.13	-.07
0.23	0.50	0.70	-.06	0.08	-.09

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