LTN
Framework Type
LTN
Powder Diffraction Pattern for NaZ-21
Set Parameters:
2θ range:
°
-
°
Step size:
°2θ
Background:
Polarization factor:
Wavelength:
As specified
CrA1 (2.28970 Å)
CrA2 (2.29361 Å)
Cr (2.29090 Å)
FeA1 (1.93604 Å)
FeA2 (1.93998 Å)
Fe (1.93730 Å)
CuA1 (1.54056 Å)
CuA2 (1.54439 Å)
Cu (1.54180 Å)
MoA1 (0.70930 Å)
MoA2 (0.71359 Å)
Mo (0.71070 Å)
AgA1 (0.55941 Å)
AgA2 (0.56380 Å)
Ag (0.56080 Å)
or
Å
keV
Peak shape parameters
(The pattern is calculated using a pseudo Voigt function with FWHM = sqrt(U + V tan θ + W tan
2
θ))
:
Peak range:
FWHM
Mixing parameter:
%
Peak width:
set UVW at
calculate UVW such that
U =
FWHM =
at
°2θ
V =
FWHM =
at
°2θ
W =
FWHM =
at
°2θ
Intensity scale:
Reference peak, scaled to
,
is the
highest peak in 2θ range
peak closest to
°2θ
reflection (hkl)
Plot parameters:
Output:
on screen
Postscript
HP-GL
ASCII
Size:
small (410x310)
medium (640x480)
large (880x650)
Intensity axis:
-
List hkl and intensity
plot powder pattern
Crystal data:
Composition:
|
Na
384
(H
2
O)
394
|
[
Si
384
Al
384
O
1536
]
Refined composition:
|
Na
426.6
(H
2
O)
393.6
|
[
Si
384
Al
384
O
1536
]
Space group:
Fd-3
(# 203)
Setting:
2
Cell parameters:
a
=
36.95Å
b
=
36.95Å
c
=
36.95Å
α =
90°
β =
90°
γ =
90°
Refinement:
X-ray single crystal refinement, R=0.051
Reference:
Shepelev, Yu.F., Smolin, Yu.I., Butikova, I.K. and Tarasov, V.I.
Dokl. Akad. Nauk SSSR
,
272
, 1133-1137 (1983)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
NA1
Na
0.0420
0.0420
0.0420
1.0
3.0
NA2
Na
0.2312
0.2132
0.2132
0.56
0.8
NA3
Na
0.2337
0.2337
0.2337
0.26
3.0
NA4
Na
0.6964
0.6964
0.6964
0.77
2.4
NA5
Na
0.4184
0.4184
0.4184
0.53
3.0
NA6
Na
0.4322
0.4322
0.4322
0.21
3.5
NA7
Na
0.4564
0.4564
0.4564
0.09
3.3
NA8
Na
0.1770
0.0742
0.8278
0.46
2.1
NA9
Na
0.1895
0.0621
0.8156
0.24
2.4
NA10
Na
0.2006
0.0501
0.7983
0.23
2.6
NA11
Na
0.1805
0.0705
0.4323
1.0
2.7
NA12
Na
0.2723
0.1111
0.3621
0.6
2.8
NA13
Na
0.2541
0.1110
0.3615
0.25
0.9
NA14
Na
0.2311
0.1084
0.3640
0.15
3.0
SI1
Si
0.2481
0.0633
0.6252
1.0
0.4
SI2
Si
0.3103
0.1213
0.7456
1.0
0.5
SI3
Si
0.1717
0.0154
0.9540
1.0
0.4
SI4
Si
0.2230
0.0852
0.2858
1.0
0.7
AL1
Al
0.3141
-0.0016
0.8749
1.0
0.5
AL2
Al
0.2484
0.1221
0.8066
1.0
0.5
AL3
Al
0.2965
0.0164
0.0794
1.0
0.4
AL4
Al
0.2850
0.0853
0.2273
1.0
0.7
O1
O
0.2151
0.0365
0.6145
1.0
1.6
O2
O
0.1613
0.0917
0.7357
1.0
1.0
O3
O
0.3857
0.0308
0.0360
1.0
1.7
O4
O
0.2580
0.0866
0.5894
1.0
1.3
O5
O
0.1135
0.0417
0.4616
1.0
1.4
O6
O
0.1982
0.0495
0.9583
1.0
1.6
O7
O
0.3626
0.0346
0.7917
1.0
1.4
O8
O
0.3261
0.0877
0.5060
1.0
1.8
O9
O
0.2529
0.0944
0.8444
1.0
1.4
O10
O
0.3209
0.0698
0.2537
1.0
1.9
O11
O
0.2160
0.1228
0.9583
1.0
1.7
O12
O
0.2652
0.0686
0.9861
1.0
1.8
O13
O
0.2454
0.1656
0.8233
1.0
1.9
O14
O
0.1723
0.0018
0.2433
1.0
2.0
O15
O
0.2803
0.0436
0.3807
1.0
1.7
O16
O
0.2839
0.0653
0.1852
1.0
1.8
H2O1
O2-(H2O)
0.2685
0.2685
0.2685
0.89
7.3
H2O2
O2-(H2O)
0.3699
0.0673
0.1659
0.17
2.6
H2O3
O2-(H2O)
0.3693
0.0758
0.1748
0.63
3.8
H2O4
O2-(H2O)
0.3679
0.0911
0.1828
0.2
2.3
H2O5
O2-(H2O)
0.0754
0.0754
0.0754
0.4
6.3
H2O6
O2-(H2O)
0.3268
0.1250
0.6250
0.86
5.5
H2O7
O2-(H2O)
0.1558
0.0849
0.8880
0.6
5.4
H2O8
O2-(H2O)
0.1471
0.1066
0.8896
0.36
4.6
H2O9
O2-(H2O)
0.3553
0.0276
0.3912
0.38
6.3
H2O10
O2-(H2O)
0.3496
0.0471
0.3987
0.61
3.4
H2O11
O2-(H2O)
0.2063
0.0449
0.1043
0.29
3.8
Copyright © 2007 Structure Commission of the International Zeolite Association (
IZA-SC
)
