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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=28045 Help
TitleThe Structures of Na.98 K.02 Nb O3 and Na.90 K.10 Nb O3 (Phase Q) at Room Temperature by Neutron Powder Diffraction.
AuthorsAhtee, M.;Hewat, A.W.
ReferenceIC&volume=31&fpage=846&details=yes target=icsd_help>Acta Crystallographica A (1975) 31, 846-850
Link XRef SCOPUS Google
CompoundK0.1 Na0.9 Nb1 O3 - Sodium potassium niobium oxide (.90/.10/1/3) - Q-phase [ABX3] [mP40] [c12 a16] []
Cell7.8782(7), 7.7920(7), 7.8632(7), 90., 90.479(4), 90.
P1M1 (6) V=482.68
RemarksR=0.092000 : N
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
Na1(1a)1
Na2(1a)1
Na3(1b)1
Na4(1b)1
Na5(1a)1
Na6(1a)1
Na7(1b)1
Na8(1b)1
K1(1a)1
K2(1a)1
K3(1b)1
K4(1b)1
K5(1a)1
K6(1a)1
K7(1b)1
K8(1b)1
Nb1(2c)5
Nb2(2c)5
Nb3(2c)5
Nb4(2c)5
O1(1a)-2
O2(1a)-2
O3(1b)-2
O4(1b)-2
O5(2c)-2
O6(2c)-2
O7(2c)-2
O8(2c)-2
O9(1a)-2
O10(1a)-2
O11(1b)-2
O12(1b)-2
O13(2c)-2
O14(2c)-2
O15(2c)-2
O16(2c)-2
0.2600.2200.9
0.2700.7300.9
0.260.50.2200.9
0.270.50.7300.9
0.7600.7200.9
0.7700.2300.9
0.760.50.7200.9
0.770.50.2300.9
0.2600.2200.1
0.2700.7300.1
0.260.50.2200.1
0.270.50.7300.1
0.7600.7200.1
0.7700.2300.1
0.760.50.7200.1
0.770.50.2300.1
0.010.25-.0101
0.010.250.4801
0.510.250.4801
0.510.250.9801
-.020-.0201
0.0200.5201
0.020.50.0201
-.020.50.4701
0.030.220.2501
0.250.22-.0301
-.030.270.7501
0.250.270.5201
0.4700.4701
0.5200.0201
0.520.50.5201
0.470.50.9701
0.530.220.7501
0.750.220.4601
0.460.270.2501
0.750.270.0201
Atom (site) Oxid. B11, B22, B33, B12, B13, B23
Na1(1a)1
Na2(1a)1
Na3(1b)1
Na4(1b)1
Na5(1a)1
Na6(1a)1
Na7(1b)1
Na8(1b)1
K1(1a)1
K2(1a)1
K3(1b)1
K4(1b)1
K5(1a)1
K6(1a)1
K7(1b)1
K8(1b)1
Nb1(2c)5
Nb2(2c)5
Nb3(2c)5
Nb4(2c)5
O1(1a)-2
O2(1a)-2
O3(1b)-2
O4(1b)-2
O5(2c)-2
O6(2c)-2
O7(2c)-2
O8(2c)-2
O9(1a)-2
O10(1a)-2
O11(1b)-2
O12(1b)-2
O13(2c)-2
O14(2c)-2
O15(2c)-2
O16(2c)-2
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
1.9(1.0(1.9(000
0.7(1.0(0.7(000
0.7(1.0(0.7(000
0.7(1.0(0.7(000
0.7(1.0(0.7(000
1.2(0.4(2.4(000
1.2(0.4(2.4(000
1.2(0.4(2.4(000
1.2(0.4(2.4(000
1.8(2.4(0.5(000
0.5(1.1(1.7(000
1.8(2.4(0.5(000
0.5(1.1(1.7(000
1.2(0.4(2.4(000
1.2(0.4(2.4(000
1.2(0.4(2.4(000
1.2(0.4(2.4(000
1.8(2.4(0.5(000
0.5(1.1(1.7(000
1.8(2.4(0.5(000
0.5(1.1(1.7(000

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