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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
The Structures of Na.98 K.02 Nb O3 and Na.90 K.10 Nb O3 (Phase Q) at Room Temperature by Neutron Powder Diffraction.
Authors
Ahtee, M.;Hewat, A.W.
Reference
IC&volume=31&fpage=846&details=yes target=icsd_help>Acta Crystallographica A (1975)
31
, 846-850
Link
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Compound
K0.1 Na0.9 Nb1 O3
- Sodium potassium niobium oxide (.90/.10/1/3) - Q-phase
[
ABX3
] [
mP40
] [
c12 a16
] [
]
Cell
7.8782(7), 7.7920(7), 7.8632(7), 90., 90.479(4), 90.
P1M1 (6)
V=482.68
Remarks
R=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
0.26
0
0.22
0
0.9
0.27
0
0.73
0
0.9
0.26
0.5
0.22
0
0.9
0.27
0.5
0.73
0
0.9
0.76
0
0.72
0
0.9
0.77
0
0.23
0
0.9
0.76
0.5
0.72
0
0.9
0.77
0.5
0.23
0
0.9
0.26
0
0.22
0
0.1
0.27
0
0.73
0
0.1
0.26
0.5
0.22
0
0.1
0.27
0.5
0.73
0
0.1
0.76
0
0.72
0
0.1
0.77
0
0.23
0
0.1
0.76
0.5
0.72
0
0.1
0.77
0.5
0.23
0
0.1
0.01
0.25
-.01
0
1
0.01
0.25
0.48
0
1
0.51
0.25
0.48
0
1
0.51
0.25
0.98
0
1
-.02
0
-.02
0
1
0.02
0
0.52
0
1
0.02
0.5
0.02
0
1
-.02
0.5
0.47
0
1
0.03
0.22
0.25
0
1
0.25
0.22
-.03
0
1
-.03
0.27
0.75
0
1
0.25
0.27
0.52
0
1
0.47
0
0.47
0
1
0.52
0
0.02
0
1
0.52
0.5
0.52
0
1
0.47
0.5
0.97
0
1
0.53
0.22
0.75
0
1
0.75
0.22
0.46
0
1
0.46
0.27
0.25
0
1
0.75
0.27
0.02
0
1
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(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
1.9(
1.0(
1.9(
0
0
0
0.7(
1.0(
0.7(
0
0
0
0.7(
1.0(
0.7(
0
0
0
0.7(
1.0(
0.7(
0
0
0
0.7(
1.0(
0.7(
0
0
0
1.2(
0.4(
2.4(
0
0
0
1.2(
0.4(
2.4(
0
0
0
1.2(
0.4(
2.4(
0
0
0
1.2(
0.4(
2.4(
0
0
0
1.8(
2.4(
0.5(
0
0
0
0.5(
1.1(
1.7(
0
0
0
1.8(
2.4(
0.5(
0
0
0
0.5(
1.1(
1.7(
0
0
0
1.2(
0.4(
2.4(
0
0
0
1.2(
0.4(
2.4(
0
0
0
1.2(
0.4(
2.4(
0
0
0
1.2(
0.4(
2.4(
0
0
0
1.8(
2.4(
0.5(
0
0
0
0.5(
1.1(
1.7(
0
0
0
1.8(
2.4(
0.5(
0
0
0
0.5(
1.1(
1.7(
0
0
0
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