IMF
Framework Type
IMF
Powder Diffraction Pattern for calcined IM-5
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:
[
Si
288
O
576
]
-
IMF
Refined composition:
[
Si
288
O
576
]
Space group:
Cmcm
(# 63)
Setting:
Cell parameters:
a
=
14.2088Å
b
=
57.2368Å
c
=
19.9940Å
α =
90.0°
β =
90.°
γ =
90.°
Refinement:
X-ray (synchrotron) Rietveld refinement, RF = 0.075, wRp = 0.188
Reference:
Baerlocher, Ch., Gramm, F., Massüger, L., McCusker, L.B., He, Z., Hovmöller, S. and Zou, X.
Science
,
315
, 1113-1116 (2007)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Si1
Si
0.5000
0.4182
0.5574
1.0
1.09
Si2
Si
0.5000
0.3847
0.6709
1.0
1.09
Si3
Si
0.5000
0.2871
0.6732
1.0
1.09
Si4
Si
0.5000
0.2530
0.9424
1.0
1.09
Si5
Si
0.5000
0.0954
0.6269
1.0
1.09
Si6
Si
0.5000
0.0411
0.6195
1.0
1.09
Si7
Si
0.1991
0.0630
0.0315
1.0
1.09
Si8
Si
0.1933
0.1372
0.1704
1.0
1.09
Si9
Si
0.1859
0.1897
0.1244
1.0
1.09
Si10
Si
0.2025
0.2647
0.0596
1.0
1.09
Si11
Si
0.2035
0.3910
0.1735
1.0
1.09
Si12
Si
0.1897
0.4812
0.1704
1.0
1.09
Si13
Si
0.3137
0.0180
0.0613
1.0
1.09
Si14
Si
0.2947
0.1082
0.0672
1.0
1.09
Si15
Si
0.2920
0.2349
0.1709
1.0
1.09
Si16
Si
0.3080
0.3114
0.0349
1.0
1.09
Si17
Si
0.2971
0.3627
0.0555
1.0
1.09
Si18
Si
0.3037
0.4364
0.1280
1.0
1.09
Si19
Si
0.5000
0.0425
0.0397
1.0
1.09
Si20
Si
0.5000
0.0963
0.0329
1.0
1.09
Si21
Si
0.5000
0.2544
0.1753
1.0
1.09
Si22
Si
0.5000
0.2912
0.4411
1.0
1.09
Si23
Si
0.5000
0.3795
0.0571
1.0
1.09
Si24
Si
0.5000
0.4175
0.1710
1.0
1.09
O1
O
0.5907
0.4341
0.550
1.0
1.26
O2
O
0.5000
0.3966
0.507
1.0
1.26
O3
O
0.5000
0.4091
0.633
1.0
1.26
O4
O
0.4100
0.3704
0.648
1.0
1.26
O5
O
0.5000
0.3894
0.7500
1.0
1.26
O6
O
0.5000
0.2799
0.7500
1.0
1.26
O7
O
0.5891
0.3026
0.657
1.0
1.26
O8
O
0.5000
0.2634
0.632
1.0
1.26
O9
O
0.5000
0.2743
0.995
1.0
1.26
O10
O
0.5908
0.2368
0.949
1.0
1.26
O11
O
0.5000
0.0679
0.641
1.0
1.26
O12
O
0.4078
0.1076
0.658
1.0
1.26
O13
O
0.5000
0.0988
0.5472
1.0
1.26
O14
O
0.5000
0.0384
0.5397
1.0
1.26
O15
O
0.5891
0.0286
0.650
1.0
1.26
O16
O
0.234
0.0373
0.049
1.0
1.26
O17
O
0.208
0.0672
0.9520
1.0
1.26
O18
O
0.262
0.0814
0.071
1.0
1.26
O19
O
0.215
0.1640
0.150
1.0
1.26
O20
O
0.268
0.1194
0.1381
1.0
1.26
O21
O
0.199
0.1338
0.2500
1.0
1.26
O22
O
0.262
0.2093
0.143
1.0
1.26
O23
O
0.175
0.1889
0.0445
1.0
1.26
O24
O
0.237
0.2913
0.057
1.0
1.26
O25
O
0.2500
0.2500
0.0
1.0
1.26
O26
O
0.232
0.2543
0.1312
1.0
1.26
O27
O
0.221
0.3826
0.2500
1.0
1.26
O28
O
0.259
0.3738
0.1240
1.0
1.26
O29
O
0.243
0.4169
0.164
1.0
1.26
O30
O
0.265
0.4616
0.150
1.0
1.26
O31
O
0.211
0.5046
0.1294
1.0
1.26
O32
O
0.192
0.4866
0.2500
1.0
1.26
O33
O
0.4103
0.0312
0.073
1.0
1.26
O34
O
0.323
0.0
0.0
1.0
1.26
O35
O
0.4072
0.1087
0.061
1.0
1.26
O36
O
0.245
0.1231
1.008
1.0
1.26
O37
O
0.4050
0.2394
0.163
1.0
1.26
O38
O
0.265
0.2365
0.2500
1.0
1.26
O39
O
0.4094
0.3074
0.066
1.0
1.26
O40
O
0.264
0.3360
0.056
1.0
1.26
O41
O
0.4096
0.3632
0.055
1.0
1.26
O42
O
0.4105
0.4327
0.151
1.0
1.26
O43
O
0.5000
0.0697
0.056
1.0
1.26
O44
O
0.5000
0.2645
0.2500
1.0
1.26
O45
O
0.5000
0.2761
0.126
1.0
1.26
O46
O
0.5000
0.3943
0.126
1.0
1.26
O47
O
0.5000
0.4110
0.2500
1.0
1.26
Copyright © 2007 Structure Commission of the International Zeolite Association (
IZA-SC
)
