#*********************************************************************************
#
# Crystallographic Information File for EMM-23
#
# Reference :
# Willhammar, T., Burton, A.W., Yun, Y., Sun J., Afeworki, M., Strohmaier, K.H., Vroman, H. and Zou, X.
# J. Am. Chem. Soc., 136, 13570-13573, (2014)
#
#
# 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_EMM-23
_chemical_name_systematic 'EMM-23'

_cell_length_a 19.748
_cell_length_b 19.748
_cell_length_c 13.8585
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 3 1 c'
_symmetry_space_group_name_H-M 'P 3 1 c'
_symmetry_space_group_name_Hall 'P 3 -2c'
_space_group.IT_number 159

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 0.92 0.4535 0.595 0.73 1
Si2 Si 0.7864 0.2844 0.622 0.73 1
Si3 Si 0.7012 0.1332 0.51 0.73 1
Si4 Si 0.786 0.0413 0.757 0.73 0.33
Si5 Si 0.9177 0.4457 1.005 0.73 1
Si6 Si 0.7855 0.2793 0.983 0.73 1
Si7 Si 0.6906 0.1279 0.096 0.73 1
Si8 Si 0.7708 0.1874 0.799 0.73 1
Si9 Si 0.5899 0.0753 0.803 0.73 1
Si10 Si 0.3875 0.3145 0.303 0.73 1
Si11 Si 0.7331 0.9995 0.547 0.73 0.67
Si12 Si 0.66667 0.33333 0.697 0.73 1
Si13 Si 0.66667 0.33333 0.923 0.73 1
O1 O 0.8973 0.5112 0.541 1.87 1
O2 O 0.93 0.4706 0.708 1.87 1
O3 O 0.8586 0.3632 0.582 1.87 1
O4 O 0.7207 0.3012 0.659 1.87 1
O5 O 0.752 0.2227 0.537 1.87 1
O6 O 0.8109 0.2448 0.707 1.87 1
O7 O 0.709 0.1285 0.394 1.87 1
O8 O 0.7394 0.0842 0.556 1.87 1
O9 O 0.78 0.989 0.636 1.87 0.67
O9" O 0.785 0.044 0.64 2.16 0.33
O11 O 0.8846 0.494 0.06 2.16 1
O12 O 0.92 0.4623 0.893 2.16 1
O13 O 0.8629 0.3535 1.02 2.16 1
O14 O 0.7179 0.2976 0.964 2.16 1
O15 O 0.7583 0.2153 0.07 2.16 1
O16 O 0.8061 0.2416 0.894 2.16 1
O17 O 0.689 0.1218 0.21 2.16 1
O18 O 0.7067 0.0648 1.045 2.16 1
O19 O 0.783 0.008 0.951 2.16 0.67
O20 O 0.8588 0.031 0.789 2.16 0.33
O21 O 0.0004 0.4662 0.55 2.16 1
O22 O 0.7378 0.033 0.293 2.16 1
O23 O 0.6784 0.147 0.797 2.16 1
O24 O 0.8 0.1238 0.799 2.16 1
O25 O 0.5868 0.994 0.816 2.16 1
O26 O 0.66667 0.33333 0.81 2.16 1
C1 C 0.686 0.691 0.299 3.02 0.33
N1 N 0.748 0.743 0.225 3.02 0.33
C2 C 0.776 0.691 0.175 3.02 0.33
C3 C 0.766 0.696 0.065 3.02 0.33
C4 C 0.727 0.748 0.049 3.02 0.33
C5 C 0.713 0.772 0.149 3.02 0.33
C6 C 0.817 0.81 0.276 3.02 0.33
C7 C 0.848 0.778 0.354 3.02 0.33
C8 C 0.827 0.789 0.456 3.02 0.33
C9 C 0.714 0.637 0.341 3.02 0.33
C10 C 0.653 0.551 0.329 3.02 0.33
C11 C 0.682 0.503 0.275 3.02 0.33
C12 C 0.652 0.421 0.318 3.02 0.33
N2 N 0.651 0.344 0.299 3.02 0.33
C13 C 0.635 0.299 0.394 3.02 0.33
C14 C 0.569 0.215 0.372 3.02 0.33
C15 C 0.538 0.214 0.268 3.02 0.33
C16 C 0.588 0.297 0.225 3.02 0.33
C17 C 0.731 0.362 0.26 3.02 0.33
C18 C 0.816 0.385 0.241 3.02 0.33
C19 C 0.851 0.358 0.319 3.02 0.33
C1" C 1.038 0.213 0.628 3.02 0.17
N1" N 1.019 0.213 0.525 3.02 0.17
C2" C 0.941 0.208 0.503 3.02 0.17
C3" C 0.956 0.263 0.414 3.02 0.17
C4" C 1.046 0.298 0.388 3.02 0.17
C5" C 1.083 0.267 0.46 3.02 0.17
C6" C 1.048 0.178 0.454 3.02 0.17
C7" C 0.986 0.095 0.424 3.02 0.17
C8" C 0.998 0.074 0.322 3.02 0.17
C9" C 1.042 0.281 0.686 3.02 0.17
C10" C 1.093 0.299 0.777 3.02 0.17
C11" C 1.045 0.272 0.87 3.02 0.17
C12" C 1.01 0.184 0.889 3.02 0.17
N2" N 1.007 0.168 0.998 3.02 0.17
C13" C 1.087 0.223 1.042 3.02 0.17
C14" C 1.074 0.277 0.972 3.02 0.17
C15" C 0.985 0.252 0.97 3.02 0.17
C16" C 0.944 0.181 1.045 3.02 0.17
C17" C 0.987 0.084 1.014 3.02 0.17
C18" C 0.98 0.066 1.122 3.02 0.17
C19" C 0.958 -0.019 1.143 3.02 0.17
Ow1 O 0.075 0.13 0.483 11.8 0.5
Ow2 O 0.98 1.044 0.241 11.8 0.33
Ow3 O 0.912 0.941 0.346 11.8 0.33
# End of data for EMM-23