Database of Zeolite Structures
 
Framework Type JZO
Powder Diffraction Pattern for ZEO-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 41/a m d   (# 141)   
  Cell parameters: a = 43.3398 Å b = 43.3398Å c = 24.969 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(TCyMP+)45.8(H2O)63.2| [Si583.7Al40.3O1248]-JZO
TCyMP+ = C19H36P+ = tricyclohexyl(methyl)phosphonium
= tricyclohexyl(methyl)phosphanium
SMILES: C[P+](C1CCCCC1)(C2CCCCC2)C3CCCCC3
;Images:  stick or 
  Refinement: X-ray Rietveld refinement, Rwp=0.065, Rexp=0.036
  Reference: Lin, Q-F., Gao, Z. R., Lin, C., Zhang, S., Chen, J., Li, Z.. Liu, X., Fan, W., Li, J., Chen, X., Camblor, M. A. and Chen, F-J.
Science, 374, 1605-1608 (2021)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.2493 0.8597 0.747 1 0.568
  Si3
Si
0.191 0.7718 0.8054 1 0.568
  Si4
Si
0.0945 0.7727 0.9151 1 0.568
  Si5
Si
0.0603 0.2519 0.7506 1 0.568
  Si6
Si
0.1205 0.7728 0.8005 1 0.568
  Si8
Si
0.0352 0.3089 0.6936 1 0.568
  Si9
Si
0.3444 0.8045 0.68 1 0.568
  Si11
Si
0.1909 0.8454 0.8077 1 0.568
  Si12
Si
0.1212 0.8436 0.7997 1 0.568
  Si13
Si
0.0618 0.8627 0.7467 1 0.568
  Si14
Si
0.2702 0.8034 0.6773 1 0.568
  Si15
Si
0.0367 0.805 0.6832 1 0.568
  Si16
Si
0.094 0.8429 0.9141 1 0.568
  Si17
Si
0.0352 0.9074 0.6685 1 0.568
  Si18
Si
0.0354 0.3797 0.6974 1 0.568
  Si19
Si
0.0342 0.7723 0.8575 1 0.568
  Si20
Si
0.0361 0.4662 0.6433 1 0.568
  Si21
Si
0.0342 0.8448 0.8561 1 0.568
  Si02
Si
0.2494 0.2494 0.5 1 0.568
  Si07
Si
0.3618 0.3618 0.5 1 0.568
  Si10
Si
0.0621 0.0621 0.5 1 0.568
  O2
O
0.2139 0.7543 0.7656 1 0.682
  O3
O
0.216 0.8633 0.7725 1 0.682
  O4
O
0.0561 0.2861 0.7274 1 0.682
  O5
O
0.1965 0.7609 0.8653 1 0.682
  O6
O
0.1986 0.8087 0.8007 1 0.682
  O7
O
0.0596 0.7637 0.9015 1 0.682
  O8
O
0.2512 0.8301 0.7078 1 0.682
  O9
O
0.1558 0.7635 0.7893 1 0.682
  O20
O
0.1148 0.7671 0.8633 1 0.682
  O21
O
0.1564 0.8532 0.7879 1 0.682
  O22
O
0.0428 0.305 0.6306 1 0.682
  O23
O
0.2592 0.7705 0.6994 1 0.682
  O24
O
0.095 0.808 0.9317 1 0.682
  O25
O
0.2546 0.8911 0.714 1 0.682
  O10
O
0.1155 0.8084 0.7852 1 0.682
  O11
O
0.1952 0.8549 0.8687 1 0.682
  O13
O
0.0965 0.7524 0.7658 1 0.682
  O14
O
0.3617 0.8322 0.7109 1 0.682
  O15
O
0.1157 0.847 0.8626 1 0.682
  O16
O
0.0969 0.8629 0.765 1 0.682
  O18
O
0.3072 0.8087 0.6876 1 0.682
  O19
O
0.057 0.4027 0.7319 1 0.682
  O26
O
0.2728 0.8566 0.7961 1 0.682
  O27
O
0.0405 0.3858 0.6333 1 0.682
  O28
O
0.0591 0.8525 0.9002 1 0.682
  O29
O
0.0558 0.8946 0.7169 1 0.682
  O30
O
0.0494 0.7726 0.706 1 0.682
  O31
O
0.0362 0.8084 0.8419 1 0.682
  O32
O
0.0395 0.7525 0.8031 1 0.682
  O33
O
0.0438 0.9419 0.6531 1 0.682
  O34
O
0.0556 0.834 0.707 1 0.682
  O35
O
0.043 0.344 0.7109 1 0.682
  O36
O
0.0402 0.8618 0.7996 1 0.682
  O37
O
0.1077 0.8616 0.9631 1 0.682
  O38
O
0.0548 0.4603 0.6984 1 0.682
  O39
O
0 0.3013 0.7064 1 0.682
  O40
O
0 0.906 0.6881 1 0.682
  O41
O
0 0.8523 0.8762 1 0.682
  O42
O
0 0.3862 0.713 1 0.682
  O43
O
0 0.4578 0.876 1 0.682
  O44
O
0 0.766 0.8788 1 0.682
  O45
O
0 0.4631 0.659 1 0.682
  O1
O
0 0.8079 0.6994 1 0.682
  C1
C
0.569 0.631 0.88 0.499 12
  C2
C
0.599 0.629 0.85 0.499 12
  C3
C
0.626 0.629 0.89 0.499 12
  C4
C
0.625 0.657 0.92 0.499 12
  C5
C
0.595 0.659 0.95 0.499 12
  C6
C
0.569 0.659 0.91 0.499 12
  P7
P
0.659 0.66 0.96 0.499 10
  C8
C
0.708 0.678 0.9 0.499 12
  C9
C
0.693 0.65 0.93 0.499 12
  C10
C
0.686 0.627 0.88 0.499 12
  C11
C
0.714 0.618 0.85 0.499 12
  C12
C
0.728 0.646 0.83 0.499 12
  C13
C
0.736 0.67 0.87 0.499 12
  C14
C
0.662 0.7 0.98 0.499 12
  H15
H
0.566 0.61 0.9 0.499 12
  H16
H
0.599 0.608 0.83 0.499 12
  H17
H
0.647 0.629 0.86 0.499 12
  H18
H
0.595 0.679 0.97 0.499 12
  H19
H
0.569 0.679 0.89 0.499 12
  C20
C
0.657 0.637 1.03 0.499 12
  H21
H
0.715 0.694 0.93 0.499 12
  H22
H
0.669 0.636 0.86 0.499 12
  H23
H
0.708 0.602 0.82 0.499 12
  H24
H
0.713 0.656 0.8 0.499 12
  H25
H
0.744 0.69 0.85 0.499 12
  C26
C
0.627 0.622 1.03 0.499 12
  C27
C
0.627 0.602 1.08 0.499 12
  C28
C
0.635 0.62 1.13 0.499 12
  C29
C
0.666 0.636 1.12 0.499 12
  C30
C
0.666 0.655 1.08 0.499 12
  H31
H
0.609 0.639 1.04 0.499 12
  H32
H
0.643 0.583 1.08 0.499 12
  H33
H
0.636 0.605 1.17 0.499 12
  H34
H
0.683 0.618 1.12 0.499 12
  H35
H
0.689 0.664 1.07 0.499 12
  H36
H
0.551 0.632 0.85 0.499 12
  H37
H
0.601 0.648 0.82 0.499 12
  H38
H
0.626 0.608 0.91 0.499 12
  H39
H
0.626 0.677 0.89 0.499 12
  H40
H
0.593 0.639 0.98 0.499 12
  H41
H
0.548 0.659 0.94 0.499 12
  H42
H
0.691 0.69 0.88 0.499 12
  H43
H
0.71 0.641 0.95 0.499 12
  H44
H
0.677 0.606 0.9 0.499 12
  H45
H
0.731 0.607 0.88 0.499 12
  H46
H
0.749 0.64 0.81 0.499 12
  H47
H
0.753 0.661 0.9 0.499 12
  H48
H
0.682 0.704 1.01 0.499 12
  H49
H
0.642 0.707 1.01 0.499 12
  H50
H
0.663 0.714 0.95 0.499 12
  H51
H
0.675 0.619 1.02 0.499 12
  H52
H
0.621 0.608 1 0.499 12
  H53
H
0.604 0.592 1.09 0.499 12
  H54
H
0.618 0.638 1.14 0.499 12
  H55
H
0.67 0.65 1.16 0.499 12
  H56
H
0.651 0.675 1.08 0.499 12
  CB1
C
0.29 0.468 0.478 0.495 12
  CB2
C
0.275 0.4497 0.434 0.495 12
  CB3
C
0.242 0.4439 0.445 0.495 12
  CB4
C
0.225 0.4736 0.455 0.495 12
  CB5
C
0.239 0.4913 0.5 0.495 12
  CB6
C
0.273 0.4974 0.488 0.495 12
  PB7
P
0.183 0.468 0.466 0.495 10
  CB8
C
0.134 0.4359 0.42 0.495 12
  CB9
C
0.168 0.4416 0.414 0.495 12
  CB10
C
0.175 0.4538 0.359 0.495 12
  CB11
C
0.163 0.4322 0.317 0.495 12
  CB12
C
0.13 0.4268 0.323 0.495 12
  CB13
C
0.122 0.4147 0.378 0.495 12
  CB14
C
0.165 0.5053 0.455 0.495 12
  HB15
H
0.29 0.454 0.514 0.495 12
  HB16
H
0.287 0.4279 0.43 0.495 12
  HB17
H
0.232 0.4318 0.411 0.495 12
  HB18
H
0.228 0.5131 0.505 0.495 12
  HB19
H
0.275 0.5122 0.453 0.495 12
  CB20
C
0.171 0.454 0.533 0.495 12
  HB21
H
0.13 0.425 0.459 0.495 12
  HB22
H
0.164 0.476 0.353 0.495 12
  HB23
H
0.168 0.442 0.277 0.495 12
  HB24
H
0.117 0.4481 0.316 0.495 12
  HB25
H
0.098 0.4123 0.382 0.495 12
  CB26
C
0.19 0.427 0.55 0.495 12
  CB27
C
0.179 0.415 0.603 0.495 12
  CB28
C
0.18 0.44 0.645 0.495 12
  CB29
C
0.162 0.467 0.628 0.495 12
  CB30
C
0.172 0.479 0.575 0.495 12
  HB31
H
0.214 0.433 0.554 0.495 12
  HB32
H
0.155 0.407 0.599 0.495 12
  HB33
H
0.171 0.431 0.682 0.495 12
  HB34
H
0.138 0.461 0.626 0.495 12
  HB35
H
0.157 0.498 0.563 0.495 12
  HB36
H
0.313 0.473 0.467 0.495 12
  HB37
H
0.277 0.4621 0.396 0.495 12
  HB38
H
0.24 0.4288 0.48 0.495 12
  HB39
H
0.227 0.4874 0.419 0.495 12
  HB40
H
0.238 0.478 0.537 0.495 12
  HB41
H
0.283 0.509 0.521 0.495 12
  HB42
H
0.122 0.4575 0.418 0.495 12
  HB43
H
0.18 0.4197 0.419 0.495 12
  HB44
H
0.2 0.4568 0.353 0.495 12
  HB45
H
0.176 0.4105 0.319 0.495 12
  HB46
H
0.122 0.4102 0.293 0.495 12
  HB47
H
0.133 0.3921 0.383 0.495 12
  HB48
H
0.14 0.5032 0.459 0.495 12
  HB49
H
0.173 0.5217 0.484 0.495 12
  HB50
H
0.171 0.5138 0.415 0.495 12
  HB51
H
0.148 0.447 0.53 0.495 12
  HB52
H
0.188 0.409 0.52 0.495 12
  HB53
H
0.193 0.396 0.615 0.495 12
  HB54
H
0.204 0.446 0.651 0.495 12
  HB55
H
0.165 0.485 0.658 0.495 12
  HB56
H
0.195 0.488 0.579 0.495 12
  CC1
C
0.186 0.529 0.313 0.39483 12
  CC2
C
0.157 0.523 0.281 0.39483 12
  CC3
C
0.129 0.524 0.316 0.39483 12
  CC4
C
0.127 0.554 0.346 0.39483 12
  CC5
C
0.156 0.559 0.378 0.39483 12
  CC6
C
0.184 0.559 0.342 0.39483 12
  PC7
P
0.092 0.557 0.387 0.39483 10
  CC8
C
0.029 0.546 0.378 0.39483 12
  CC9
C
0.059 0.544 0.347 0.39483 12
  CC10
C
0.056 0.563 0.296 0.39483 12
  CC11
C
0.03 0.553 0.263 0.39483 12
  CC12
C
0 0.555 0.294 0.39483 12
  CC13
C
0.002 0.536 0.344 0.39483 12
  CC14
C
0.087 0.597 0.402 0.39483 12
  HC15
H
0.19 0.51 0.341 0.39483 12
  HC16
H
0.159 0.5 0.262 0.39483 12
  HC17
H
0.109 0.52 0.291 0.39483 12
  HC18
H
0.155 0.581 0.398 0.39483 12
  HC19
H
0.183 0.578 0.314 0.39483 12
  CC20
C
0.092 0.536 0.452 0.39483 12
  HC21
H
0.03 0.531 0.412 0.39483 12
  HC22
H
0.053 0.587 0.306 0.39483 12
  HC23
H
0.028 0.567 0.227 0.39483 12
  HC24
H
-0.005 0.579 0.303 0.39483 12
  HC25
H
-0.019 0.539 0.367 0.39483 12
  CC26
C
0.103 0.503 0.445 0.39483 12
  CC27
C
0.101 0.486 0.497 0.39483 12
  CC28
C
0.12 0.502 0.539 0.39483 12
  CC29
C
0.11 0.534 0.546 0.39483 12
  CC30
C
0.111 0.552 0.494 0.39483 12
  HC31
H
0.126 0.502 0.431 0.39483 12
  HC32
H
0.077 0.484 0.51 0.39483 12
  HC33
H
0.118 0.49 0.576 0.39483 12
  HC34
H
0.087 0.535 0.562 0.39483 12
  HC35
H
0.102 0.575 0.501 0.39483 12
  HC36
H
0.206 0.53 0.286 0.39483 12
  HC37
H
0.155 0.54 0.25 0.39483 12
  HC38
H
0.13 0.504 0.344 0.39483 12
  HC39
H
0.125 0.572 0.316 0.39483 12
  HC40
H
0.159 0.541 0.408 0.39483 12
  HC41
H
0.204 0.562 0.367 0.39483 12
  HC42
H
0.026 0.57 0.392 0.39483 12
  HC43
H
0.063 0.52 0.336 0.39483 12
  HC44
H
0.077 0.561 0.273 0.39483 12
  HC45
H
0.033 0.529 0.25 0.39483 12
  HC46
H
-0.018 0.546 0.269 0.39483 12
  HC47
H
0.004 0.512 0.335 0.39483 12
  HC48
H
0.066 0.601 0.424 0.39483 12
  HC49
H
0.106 0.606 0.425 0.39483 12
  HC50
H
0.086 0.61 0.365 0.39483 12
  HC51
H
0.069 0.536 0.466 0.39483 12
  HC52
H
0.088 0.492 0.415 0.39483 12
  HC53
H
0.109 0.463 0.491 0.39483 12
  HC54
H
0.144 0.501 0.527 0.39483 12
  HC55
H
0.125 0.546 0.574 0.39483 12
  HC56
H
0.135 0.554 0.481 0.39483 12


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