Database of Zeolite Structures
 
Framework Type NJO
Powder Diffraction Pattern for NJU120-1, as-made
Input Parameters
  Wavelength:  or
  2θ range:
  Step size:
  Polarization factor:
  Background:
  Reference peak is
    peak closest to °2θ
    reflection (hkl)
       scaled to
  Intensity axis:
     
Peak shape
  Pseudo-Voigt: (1-n)Gaussian + n Lorentzian
  FWHM = sqrt (U + V tan θ + W tan2θ)
  Mixing parameter (n): %
  Peak range: FWHM
  Peak width:
    set UVW at: U =   V =   W =
    FWHM =
    FWHM =
  FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space Group: I m m a   (# 74)   
  Cell parameters: a = 18.6891 Å b = 19.9831Å c = 39.572 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(DABMP+)14| [Si179Al13O384]-NJO
DABMP+ = C25H42P+1 = Bis(1-adamantyl)-butyl-methylphosphanium
= Di(1-adamantyl)-n-butyl-methylphosphonium
SMILES: CCCC[P+](C)(C12CC3CC(C1)CC(C3)C2)C45CC6CC(C4)CC(C6)C5
;Images:  stick or 
  Refinement: Rietveld refinement, Rwp=0.1236, GoF=1.32
  Reference: Ma, C., Zhang, Z., Zhang, M., Tian, X., Lin, C., Han, L., Li, G., Lo, B.T.W., Yung, K.-F., Song, H., Lin, W., Camblor, M.A., Xu, L. and Li, J.
Science , 388, 1417-1421 (2025)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si01
Si
0.5 0.5636 0.2999 2 1
  Si02
Si
0.5 0.3302 0.2959 2 1
  Si03
Si
0.7115 0.6757 0.3006 2 1
  Si04
Si
0.8476 0.4745 0.2668 2 1
  Si05
Si
0.6391 0.3294 0.3368 2 1
  Si06
Si
0.8497 0.6336 0.2662 2 1
  Si07
Si
0.5 0.445 0.2454 2 1
  Si08
Si
0.5 0.6705 0.2429 2 1
  Si09
Si
0.6452 0.5624 0.3404 2 1
  Si10
Si
0.7155 0.4393 0.303 2 1
  Si11
Si
0.5794 0.3754 0.4034 2 1
  Si12
Si
0.5784 0.5345 0.4048 2 1
  Si13
Si
0.5834 0.4366 0.5203 2 1
  Si14
Si
0.5856 0.3248 0.4734 2 1
  O01
O
0.4288 0.4565 0.2235 2 1
  O02
O
0.7926 0.664 0.2912 2 1
  O03
O
0.7976 0.4488 0.297 2 1
  O04
O
0.8262 0.4393 0.2321 2 1
  O05
O
0.707 0.3687 0.322 2 1
  O06
O
0.5 0.25 0.2906 2 1
  O07
O
0.5 0.3702 0.2606 2 1
  O08
O
0.6993 0.75 0.3145 2 1
  O09
O
0.5686 0.3526 0.3169 2 1
  O10
O
0.6885 0.6291 0.3316 2 1
  O11
O
0.6887 0.498 0.3276 2 1
  O12
O
0.5 0.4989 0.2757 2 1
  O13
O
0.5 0.75 0.2495 2 1
  O14
O
0.5674 0.5629 0.3234 2 1
  O15
O
0.4301 0.65 0.2217 2 1
  O16
O
0.638 0.5619 0.3806 2 1
  O17
O
0.6617 0.665 0.2694 2 1
  O18
O
0.65 0.25 0.3324 2 1
  O19
O
0.8391 0.5541 0.2626 2 1
  O20
O
0.5 0.3464 0.3987 2 1
  O21
O
0.5 0.632 0.2785 2 1
  O22
O
0.5 0.5655 0.3979 2 1
  O23
O
0.6054 0.4496 0.5585 2 1
  O24
O
0.6314 0.3465 0.3756 2 1
  O25
O
0.6122 0.5 0.5 2 1
  O26
O
0.6115 0.3568 0.4391 2 1
  O27
O
0.6148 0.3696 0.5039 2 1
  O28
O
0.5 0.4352 0.5188 2 1
  O29
O
0.6155 0.25 0.4775 2 1
  O30
O
0.5758 0.4556 0.4001 2 1
  O31
O
0.5 0.325 0.4745 2 1
  C1a
C
0.7545 0.5668 0.4724 12.03376 0.5018645
  C2a
C
0.727 0.6329 0.4573 12.03376 0.5018645
  C3a
C
0.7901 0.6709 0.44 12.03376 0.5018645
  C4a
C
0.8216 0.6257 0.4122 12.03376 0.5018645
  C5a
C
0.8493 0.5599 0.4282 12.03376 0.5018645
  C6a
C
0.7858 0.5242 0.4441 12.03376 0.5018645
  C7a
C
0.8136 0.5809 0.498 12.03376 0.5018645
  C8a
C
0.8441 0.6846 0.4678 12.03376 0.5018645
  C9a
C
0.8746 0.6197 0.4822 12.03376 0.5018645
  C10a
C
0.9067 0.5768 0.4542 12.03376 0.5018645
  C11a
C
0.8752 0.8237 0.3358 12.03376 0.5018645
  C12a
C
0.8616 0.8999 0.3405 12.03376 0.5018645
  C13a
C
0.8739 0.9198 0.37671 12.03376 0.5018645
  C14a
C
0.952 0.9052 0.3848 12.03376 0.5018645
  C15a
C
0.9658 0.8305 0.3808 12.03376 0.5018645
  C16a
C
0.9528 0.8098 0.3444 12.03376 0.5018645
  C18a
C
0.8229 0.8787 0.3994 12.03376 0.5018645
  C19a
C
0.836 0.8029 0.3958 12.03376 0.5018645
  C20a
C
0.9157 0.7906 0.4052 12.03376 0.5018645
  P1a
P
0.7658 0.7547 0.422 12.03376 0.5018645
  C21a
C
0.7349 0.8091 0.4571 12.03376 0.5018645
  C22a
C
0.689 0.7419 0.3932 12.03376 0.5018645
  C23a
C
0.6229 0.7113 0.4093 12.03376 0.5018645
  H1a
H
0.7098 0.5394 0.4847 12.03376 0.5018645
  H2a
H
0.686 0.6176 0.4391 12.03376 0.5018645
  H3a
H
0.7013 0.6635 0.4774 12.03376 0.5018645
  H4a
H
0.7799 0.6147 0.3929 12.03376 0.5018645
  H5a
H
0.8733 0.5245 0.4102 12.03376 0.5018645
  H6a
H
0.8013 0.4737 0.4534 12.03376 0.5018645
  H7a
H
0.7455 0.521 0.4238 12.03376 0.5018645
  H8a
H
0.7901 0.6088 0.5195 12.03376 0.5018645
  H9a
H
0.8372 0.5326 0.5056 12.03376 0.5018645
  H10a
H
0.8856 0.7185 0.4593 12.03376 0.5018645
  H11a
H
0.815 0.7114 0.4878 12.03376 0.5018645
  H12a
H
0.9165 0.63 0.5013 12.03376 0.5018645
  H13a
H
0.9317 0.5306 0.4645 12.03376 0.5018645
  H15a
H
0.8652 0.8041 0.3104 12.03376 0.5018645
  H16a
H
0.8973 0.9292 0.3235 12.03376 0.5018645
  H17a
H
0.8064 0.9158 0.3364 12.03376 0.5018645
  H18a
H
0.862 0.9739 0.3786 12.03376 0.5018645
  H19a
H
0.9874 0.9344 0.3676 12.03376 0.5018645
  H20a
H
0.9648 0.9192 0.4108 12.03376 0.5018645
  H21a
H
1.0228 0.8228 0.3848 12.03376 0.5018645
  H22a
H
0.9645 0.7566 0.3414 12.03376 0.5018645
  H23a
H
0.989 0.8377 0.327 12.03376 0.5018645
  H24a
H
0.7715 0.796 0.3503 12.03376 0.5018645
  H25a
H
0.8325 0.892 0.4257 12.03376 0.5018645
  H26a
H
0.7667 0.891 0.3934 12.03376 0.5018645
  H27a
H
0.929 0.7372 0.4032 12.03376 0.5018645
  H28a
H
0.9255 0.8071 0.4315 12.03376 0.5018645
  H29a
H
0.7125 0.8552 0.4464 12.03376 0.5018645
  H30a
H
0.6939 0.7834 0.4726 12.03376 0.5018645
  H31a
H
0.7813 0.8224 0.4731 12.03376 0.5018645
  H32a
H
0.6769 0.7919 0.3831 12.03376 0.5018645
  H33a
H
0.7069 0.7087 0.3724 12.03376 0.5018645
  C24a
C
0.5558 0.7449 0.3966 12.03376 0.5018645
  H34a
H
0.6201 0.6583 0.4018 12.03376 0.5018645
  H35a
H
0.6235 0.7148 0.4373 12.03376 0.5018645
  H36a
H
0.5572 0.7527 0.3689 12.03376 0.5018645
  H37a
H
0.5116 0.7102 0.402 12.03376 0.5018645
  C25a
C
0.5464 0.8117 0.4144 12.03376 0.5018645
  H38a
H
0.5211 0.8047 0.4395 12.03376 0.5018645
  H39a
H
0.5988 0.8336 0.4199 12.03376 0.5018645
  H40a
H
0.517 0.847 0.3979 12.03376 0.5018645
  H41a
H
0.865 0.6513 0.3989 12.03376 0.5018645
  H42a
H
0.8319 0.7295 0.3552 12.03376 0.5018645
  C1b
C
0.8062 0.4403 0.4069 12.03376 0.405
  C3b
C
0.8954 0.4637 0.3618 12.03376 0.405
  C4b
C
0.9023 0.3877 0.3558 12.03376 0.405
  C5b
C
0.8923 0.3474 0.3892 12.03376 0.405
  C6b
C
0.8157 0.3638 0.4017 12.03376 0.405
  C7b
C
0.8558 0.4633 0.4339 12.03376 0.405
  C8b
C
0.9494 0.4856 0.3887 12.03376 0.405
  C9b
C
0.9337 0.4508 0.4225 12.03376 0.405
  C10b
C
0.944 0.3751 0.4176 12.03376 0.405
  C11b
C
0.8758 0.1948 0.4181 12.03376 0.405
  C12b
C
0.9069 0.1238 0.4129 12.03376 0.405
  C13b
C
0.8942 0.079 0.444 12.03376 0.405
  C14b
C
0.8135 0.0727 0.451 12.03376 0.405
  C15b
C
0.7824 0.1419 0.4567 12.03376 0.405
  C16b
C
0.7946 0.1862 0.4247 12.03376 0.405
  C17b
C
0.9101 0.2249 0.4499 12.03376 0.405
  C18b
C
0.9326 0.112 0.4737 12.03376 0.405
  C19b
C
0.8998 0.1798 0.4805 12.03376 0.405
  C20b
C
0.8188 0.1733 0.4877 12.03376 0.405
  P1b
P
0.8981 0.2515 0.3803 12.03376 0.405
  C21b
C
0.9798 0.2132 0.3614 12.03376 0.405
  C22b
C
0.84 0.2331 0.3431 12.03376 0.405
  C23b
C
0.8778 0.2437 0.3086 12.03376 0.405
  H1b
H
0.7541 0.4531 0.4166 12.03376 0.405
  H2b
H
0.7792 0.4682 0.3569 12.03376 0.405
  H3b
H
0.8161 0.5351 0.38 12.03376 0.405
  H4b
H
0.9055 0.4912 0.3379 12.03376 0.405
  H5b
H
0.8608 0.3731 0.3372 12.03376 0.405
  H6b
H
0.8049 0.3388 0.4262 12.03376 0.405
  H7b
H
0.7763 0.3442 0.3839 12.03376 0.405
  H8b
H
0.8434 0.5143 0.441 12.03376 0.405
  H9b
H
0.8387 0.4364 0.4562 12.03376 0.405
  H10b
H
1.0029 0.4707 0.3799 12.03376 0.405
  H11b
H
0.9477 0.5406 0.3915 12.03376 0.405
  H12b
H
0.9711 0.4702 0.4419 12.03376 0.405
  H13b
H
0.9336 0.3523 0.4417 12.03376 0.405
  H14b
H
1.001 0.3661 0.4154 12.03376 0.405
  H15b
H
0.8816 0.1019 0.3905 12.03376 0.405
  H16b
H
0.9652 0.1266 0.4094 12.03376 0.405
  H17b
H
0.9173 0.0285 0.441 12.03376 0.405
  H18b
H
0.784 0.0505 0.4295 12.03376 0.405
  H19b
H
0.8043 0.0408 0.4735 12.03376 0.405
  H20b
H
0.7255 0.1339 0.4623 12.03376 0.405
  H21b
H
0.7683 0.2352 0.4281 12.03376 0.405
  H22b
H
0.7701 0.1614 0.4024 12.03376 0.405
  H23b
H
0.9677 0.2363 0.446 12.03376 0.405
  H24b
H
0.9265 0.0833 0.4966 12.03376 0.405
  H25b
H
0.9908 0.1167 0.4687 12.03376 0.405
  H26b
H
0.9296 0.1993 0.5021 12.03376 0.405
  H27b
H
0.7942 0.2229 0.4927 12.03376 0.405
  H28b
H
0.8096 0.1415 0.5102 12.03376 0.405
  H29b
H
0.9726 0.1589 0.3573 12.03376 0.405
  H30b
H
0.9945 0.2314 0.3365 12.03376 0.405
  H31b
H
1.0242 0.2231 0.3772 12.03376 0.405
  H32b
H
0.8243 0.1801 0.3457 12.03376 0.405
  H33b
H
0.7952 0.2672 0.3453 12.03376 0.405
  C24b
C
0.8296 0.2589 0.2785 12.03376 0.405
  C25b
C
0.8757 0.2735 0.2475 12.03376 0.405
  H34b
H
0.9152 0.2865 0.3103 12.03376 0.405
  H35b
H
0.9083 0.1975 0.3023 12.03376 0.405
  H36b
H
0.7952 0.2153 0.2729 12.03376 0.405
  H37b
H
0.796 0.3032 0.2841 12.03376 0.405
  H38b
H
0.908 0.3196 0.2515 12.03376 0.405
  H39b
H
0.9121 0.2308 0.2423 12.03376 0.405
  H40b
H
0.8421 0.2811 0.2249 12.03376 0.405
  H41b
H
0.9542 0.3775 0.3437 12.03376 0.405
  H42b
H
0.8802 0.2702 0.4559 12.03376 0.405


Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)