#*********************************************************************************
#
# Crystallographic Information File for ZEO-1
#
# 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)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_ZEO-1
_chemical_name_systematic 'ZEO-1'
_cell_length_a 43.3398
_cell_length_b 43.3398
_cell_length_c 24.969
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'I 41/a m d'
_symmetry_space_group_name_H-M 'I 41/a m d'
_symmetry_space_group_name_Hall 'I 4bw 2bw -1bw'
_space_group.IT_number 141
_space_group.IT_coordinate_system_code '1'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Si1 Si 0.2493 0.8597 0.747 0.568 1
Si3 Si 0.191 0.7718 0.8054 0.568 1
Si4 Si 0.0945 0.7727 0.9151 0.568 1
Si5 Si 0.0603 0.2519 0.7506 0.568 1
Si6 Si 0.1205 0.7728 0.8005 0.568 1
Si8 Si 0.0352 0.3089 0.6936 0.568 1
Si9 Si 0.3444 0.8045 0.68 0.568 1
Si11 Si 0.1909 0.8454 0.8077 0.568 1
Si12 Si 0.1212 0.8436 0.7997 0.568 1
Si13 Si 0.0618 0.8627 0.7467 0.568 1
Si14 Si 0.2702 0.8034 0.6773 0.568 1
Si15 Si 0.0367 0.805 0.6832 0.568 1
Si16 Si 0.094 0.8429 0.9141 0.568 1
Si17 Si 0.0352 0.9074 0.6685 0.568 1
Si18 Si 0.0354 0.3797 0.6974 0.568 1
Si19 Si 0.0342 0.7723 0.8575 0.568 1
Si20 Si 0.0361 0.4662 0.6433 0.568 1
Si21 Si 0.0342 0.8448 0.8561 0.568 1
Si02 Si 0.2494 0.2494 0.5 0.568 1
Si07 Si 0.3618 0.3618 0.5 0.568 1
Si10 Si 0.0621 0.0621 0.5 0.568 1
O2 O 0.2139 0.7543 0.7656 0.682 1
O3 O 0.216 0.8633 0.7725 0.682 1
O4 O 0.0561 0.2861 0.7274 0.682 1
O5 O 0.1965 0.7609 0.8653 0.682 1
O6 O 0.1986 0.8087 0.8007 0.682 1
O7 O 0.0596 0.7637 0.9015 0.682 1
O8 O 0.2512 0.8301 0.7078 0.682 1
O9 O 0.1558 0.7635 0.7893 0.682 1
O20 O 0.1148 0.7671 0.8633 0.682 1
O21 O 0.1564 0.8532 0.7879 0.682 1
O22 O 0.0428 0.305 0.6306 0.682 1
O23 O 0.2592 0.7705 0.6994 0.682 1
O24 O 0.095 0.808 0.9317 0.682 1
O25 O 0.2546 0.8911 0.714 0.682 1
O10 O 0.1155 0.8084 0.7852 0.682 1
O11 O 0.1952 0.8549 0.8687 0.682 1
O13 O 0.0965 0.7524 0.7658 0.682 1
O14 O 0.3617 0.8322 0.7109 0.682 1
O15 O 0.1157 0.847 0.8626 0.682 1
O16 O 0.0969 0.8629 0.765 0.682 1
O18 O 0.3072 0.8087 0.6876 0.682 1
O19 O 0.057 0.4027 0.7319 0.682 1
O26 O 0.2728 0.8566 0.7961 0.682 1
O27 O 0.0405 0.3858 0.6333 0.682 1
O28 O 0.0591 0.8525 0.9002 0.682 1
O29 O 0.0558 0.8946 0.7169 0.682 1
O30 O 0.0494 0.7726 0.706 0.682 1
O31 O 0.0362 0.8084 0.8419 0.682 1
O32 O 0.0395 0.7525 0.8031 0.682 1
O33 O 0.0438 0.9419 0.6531 0.682 1
O34 O 0.0556 0.834 0.707 0.682 1
O35 O 0.043 0.344 0.7109 0.682 1
O36 O 0.0402 0.8618 0.7996 0.682 1
O37 O 0.1077 0.8616 0.9631 0.682 1
O38 O 0.0548 0.4603 0.6984 0.682 1
O39 O 0 0.3013 0.7064 0.682 1
O40 O 0 0.906 0.6881 0.682 1
O41 O 0 0.8523 0.8762 0.682 1
O42 O 0 0.3862 0.713 0.682 1
O43 O 0 0.4578 0.876 0.682 1
O44 O 0 0.766 0.8788 0.682 1
O45 O 0 0.4631 0.659 0.682 1
O1 O 0 0.8079 0.6994 0.682 1
C1 C 0.569 0.631 0.88 12 0.499
C2 C 0.599 0.629 0.85 12 0.499
C3 C 0.626 0.629 0.89 12 0.499
C4 C 0.625 0.657 0.92 12 0.499
C5 C 0.595 0.659 0.95 12 0.499
C6 C 0.569 0.659 0.91 12 0.499
P7 P 0.659 0.66 0.96 10 0.499
C8 C 0.708 0.678 0.9 12 0.499
C9 C 0.693 0.65 0.93 12 0.499
C10 C 0.686 0.627 0.88 12 0.499
C11 C 0.714 0.618 0.85 12 0.499
C12 C 0.728 0.646 0.83 12 0.499
C13 C 0.736 0.67 0.87 12 0.499
C14 C 0.662 0.7 0.98 12 0.499
H15 H 0.566 0.61 0.9 12 0.499
H16 H 0.599 0.608 0.83 12 0.499
H17 H 0.647 0.629 0.86 12 0.499
H18 H 0.595 0.679 0.97 12 0.499
H19 H 0.569 0.679 0.89 12 0.499
C20 C 0.657 0.637 1.03 12 0.499
H21 H 0.715 0.694 0.93 12 0.499
H22 H 0.669 0.636 0.86 12 0.499
H23 H 0.708 0.602 0.82 12 0.499
H24 H 0.713 0.656 0.8 12 0.499
H25 H 0.744 0.69 0.85 12 0.499
C26 C 0.627 0.622 1.03 12 0.499
C27 C 0.627 0.602 1.08 12 0.499
C28 C 0.635 0.62 1.13 12 0.499
C29 C 0.666 0.636 1.12 12 0.499
C30 C 0.666 0.655 1.08 12 0.499
H31 H 0.609 0.639 1.04 12 0.499
H32 H 0.643 0.583 1.08 12 0.499
H33 H 0.636 0.605 1.17 12 0.499
H34 H 0.683 0.618 1.12 12 0.499
H35 H 0.689 0.664 1.07 12 0.499
H36 H 0.551 0.632 0.85 12 0.499
H37 H 0.601 0.648 0.82 12 0.499
H38 H 0.626 0.608 0.91 12 0.499
H39 H 0.626 0.677 0.89 12 0.499
H40 H 0.593 0.639 0.98 12 0.499
H41 H 0.548 0.659 0.94 12 0.499
H42 H 0.691 0.69 0.88 12 0.499
H43 H 0.71 0.641 0.95 12 0.499
H44 H 0.677 0.606 0.9 12 0.499
H45 H 0.731 0.607 0.88 12 0.499
H46 H 0.749 0.64 0.81 12 0.499
H47 H 0.753 0.661 0.9 12 0.499
H48 H 0.682 0.704 1.01 12 0.499
H49 H 0.642 0.707 1.01 12 0.499
H50 H 0.663 0.714 0.95 12 0.499
H51 H 0.675 0.619 1.02 12 0.499
H52 H 0.621 0.608 1 12 0.499
H53 H 0.604 0.592 1.09 12 0.499
H54 H 0.618 0.638 1.14 12 0.499
H55 H 0.67 0.65 1.16 12 0.499
H56 H 0.651 0.675 1.08 12 0.499
CB1 C 0.29 0.468 0.478 12 0.495
CB2 C 0.275 0.4497 0.434 12 0.495
CB3 C 0.242 0.4439 0.445 12 0.495
CB4 C 0.225 0.4736 0.455 12 0.495
CB5 C 0.239 0.4913 0.5 12 0.495
CB6 C 0.273 0.4974 0.488 12 0.495
PB7 P 0.183 0.468 0.466 10 0.495
CB8 C 0.134 0.4359 0.42 12 0.495
CB9 C 0.168 0.4416 0.414 12 0.495
CB10 C 0.175 0.4538 0.359 12 0.495
CB11 C 0.163 0.4322 0.317 12 0.495
CB12 C 0.13 0.4268 0.323 12 0.495
CB13 C 0.122 0.4147 0.378 12 0.495
CB14 C 0.165 0.5053 0.455 12 0.495
HB15 H 0.29 0.454 0.514 12 0.495
HB16 H 0.287 0.4279 0.43 12 0.495
HB17 H 0.232 0.4318 0.411 12 0.495
HB18 H 0.228 0.5131 0.505 12 0.495
HB19 H 0.275 0.5122 0.453 12 0.495
CB20 C 0.171 0.454 0.533 12 0.495
HB21 H 0.13 0.425 0.459 12 0.495
HB22 H 0.164 0.476 0.353 12 0.495
HB23 H 0.168 0.442 0.277 12 0.495
HB24 H 0.117 0.4481 0.316 12 0.495
HB25 H 0.098 0.4123 0.382 12 0.495
CB26 C 0.19 0.427 0.55 12 0.495
CB27 C 0.179 0.415 0.603 12 0.495
CB28 C 0.18 0.44 0.645 12 0.495
CB29 C 0.162 0.467 0.628 12 0.495
CB30 C 0.172 0.479 0.575 12 0.495
HB31 H 0.214 0.433 0.554 12 0.495
HB32 H 0.155 0.407 0.599 12 0.495
HB33 H 0.171 0.431 0.682 12 0.495
HB34 H 0.138 0.461 0.626 12 0.495
HB35 H 0.157 0.498 0.563 12 0.495
HB36 H 0.313 0.473 0.467 12 0.495
HB37 H 0.277 0.4621 0.396 12 0.495
HB38 H 0.24 0.4288 0.48 12 0.495
HB39 H 0.227 0.4874 0.419 12 0.495
HB40 H 0.238 0.478 0.537 12 0.495
HB41 H 0.283 0.509 0.521 12 0.495
HB42 H 0.122 0.4575 0.418 12 0.495
HB43 H 0.18 0.4197 0.419 12 0.495
HB44 H 0.2 0.4568 0.353 12 0.495
HB45 H 0.176 0.4105 0.319 12 0.495
HB46 H 0.122 0.4102 0.293 12 0.495
HB47 H 0.133 0.3921 0.383 12 0.495
HB48 H 0.14 0.5032 0.459 12 0.495
HB49 H 0.173 0.5217 0.484 12 0.495
HB50 H 0.171 0.5138 0.415 12 0.495
HB51 H 0.148 0.447 0.53 12 0.495
HB52 H 0.188 0.409 0.52 12 0.495
HB53 H 0.193 0.396 0.615 12 0.495
HB54 H 0.204 0.446 0.651 12 0.495
HB55 H 0.165 0.485 0.658 12 0.495
HB56 H 0.195 0.488 0.579 12 0.495
CC1 C 0.186 0.529 0.313 12 0.39483
CC2 C 0.157 0.523 0.281 12 0.39483
CC3 C 0.129 0.524 0.316 12 0.39483
CC4 C 0.127 0.554 0.346 12 0.39483
CC5 C 0.156 0.559 0.378 12 0.39483
CC6 C 0.184 0.559 0.342 12 0.39483
PC7 P 0.092 0.557 0.387 10 0.39483
CC8 C 0.029 0.546 0.378 12 0.39483
CC9 C 0.059 0.544 0.347 12 0.39483
CC10 C 0.056 0.563 0.296 12 0.39483
CC11 C 0.03 0.553 0.263 12 0.39483
CC12 C 0 0.555 0.294 12 0.39483
CC13 C 0.002 0.536 0.344 12 0.39483
CC14 C 0.087 0.597 0.402 12 0.39483
HC15 H 0.19 0.51 0.341 12 0.39483
HC16 H 0.159 0.5 0.262 12 0.39483
HC17 H 0.109 0.52 0.291 12 0.39483
HC18 H 0.155 0.581 0.398 12 0.39483
HC19 H 0.183 0.578 0.314 12 0.39483
CC20 C 0.092 0.536 0.452 12 0.39483
HC21 H 0.03 0.531 0.412 12 0.39483
HC22 H 0.053 0.587 0.306 12 0.39483
HC23 H 0.028 0.567 0.227 12 0.39483
HC24 H -0.005 0.579 0.303 12 0.39483
HC25 H -0.019 0.539 0.367 12 0.39483
CC26 C 0.103 0.503 0.445 12 0.39483
CC27 C 0.101 0.486 0.497 12 0.39483
CC28 C 0.12 0.502 0.539 12 0.39483
CC29 C 0.11 0.534 0.546 12 0.39483
CC30 C 0.111 0.552 0.494 12 0.39483
HC31 H 0.126 0.502 0.431 12 0.39483
HC32 H 0.077 0.484 0.51 12 0.39483
HC33 H 0.118 0.49 0.576 12 0.39483
HC34 H 0.087 0.535 0.562 12 0.39483
HC35 H 0.102 0.575 0.501 12 0.39483
HC36 H 0.206 0.53 0.286 12 0.39483
HC37 H 0.155 0.54 0.25 12 0.39483
HC38 H 0.13 0.504 0.344 12 0.39483
HC39 H 0.125 0.572 0.316 12 0.39483
HC40 H 0.159 0.541 0.408 12 0.39483
HC41 H 0.204 0.562 0.367 12 0.39483
HC42 H 0.026 0.57 0.392 12 0.39483
HC43 H 0.063 0.52 0.336 12 0.39483
HC44 H 0.077 0.561 0.273 12 0.39483
HC45 H 0.033 0.529 0.25 12 0.39483
HC46 H -0.018 0.546 0.269 12 0.39483
HC47 H 0.004 0.512 0.335 12 0.39483
HC48 H 0.066 0.601 0.424 12 0.39483
HC49 H 0.106 0.606 0.425 12 0.39483
HC50 H 0.086 0.61 0.365 12 0.39483
HC51 H 0.069 0.536 0.466 12 0.39483
HC52 H 0.088 0.492 0.415 12 0.39483
HC53 H 0.109 0.463 0.491 12 0.39483
HC54 H 0.144 0.501 0.527 12 0.39483
HC55 H 0.125 0.546 0.574 12 0.39483
HC56 H 0.135 0.554 0.481 12 0.39483
# End of data for ZEO-1