#*********************************************************************************
#
# Crystallographic Information File for HPM-16, as-made
#
# Reference :
# Gao, Z. R., Balestra, S. R. G., Li, J.; Camblor, M. A.
# Angew. Chem. Int. Ed., 60, 20249-20252, (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_HPM-16_as-made
_chemical_name_systematic 'HPM-16, as-made'
_cell_length_a 14.2205
_cell_length_b 50.96
_cell_length_c 12.732
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C m m m'
_symmetry_space_group_name_H-M 'C m m m'
_symmetry_space_group_name_Hall '-C 2 2'
_space_group.IT_number 65
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 0.2079 0.0801 0.2011 1.7 0.87
Ge1 Ge 0.2079 0.0801 0.2011 1.2 0.13
Si2 Si 0.1097 0.1711 0.3736 1.7 0.55
Ge2 Ge 0.1097 0.1711 0.3736 1.2 0.45
Si3 Si 0.1081 0.0319 0.1287 1.7 0.6
Ge3 Ge 0.1081 0.0319 0.1287 1.2 0.4
Si4 Si 0.1114 0.113 0.3793 1.7 0.5
Ge4 Ge 0.1114 0.113 0.3793 1.2 0.5
Si5 Si 0.2251 0.1945 0.1981 1.7 1
Si6 Si 0.3942 0.1 0.1224 1.7 0.6
Ge6 Ge 0.3942 0.1 0.1224 1.2 0.4
Si8 Si 0.1078 0.3369 0.1207 1.7 0.46
Ge8 Ge 0.1078 0.3369 0.1207 1.2 0.54
Si7 Si 0.1101 0.1078 0 1.7 0.82
Ge7 Ge 0.1101 0.1078 0 1.2 0.18
Si9 Si 0.1091 0.1714 0 1.7 0.94
Ge9 Ge 0.1091 0.1714 0 1.2 0.06
Si10 Si 0.2101 0.2502 0.1181 1.7 0.5
O1 O 0.1851 0.0494 0.1941 2 1
O2 O 0.3201 0.084 0.1971 2 1
O3 O 0.1701 0.0909 0.3121 2 1
O4 O 0.2491 0.2245 0.1771 2 1
O5 O 0.1751 0.1922 0.3101 2 1
O6 O 0.1601 0.0959 0.1051 2 1
O7 O 0.1801 0.3216 0.2011 2 1
O8 O 0.1191 0.1417 0.3181 2 1
O9 O 0.1581 0.1833 0.1051 2 1
O10 O 0.1361 0.3687 0.1181 2 1
O11 O 0.1191 0.1401 0 2 1
O12 O 0.1241 0.037 0 2 1
O13 O 0.1161 0.3241 0 2 1
O14 O 0.3931 0.0879 0 2 1
O15 O 0.1231 0 0.1561 2 1
O16 O 0 0.1791 0 2 1
O17 O 0 0.1001 0 2 1
O18 O 0 0.1811 0.3651 2 1
O19 O 0 0.0409 0.1631 2 1
O20 O 0 0.1038 0.3871 2 1
O21 O 0 0.3333 0.1651 2 1
O22 O 0 0.4028 0.1731 2 1
O23 O 0.1421 0.1695 0.5 2 1
O24 O 0.1571 0.1156 0.5 2 1
O25 O 0.25 0.25 0 2 1
O26 O 0.0971 0.2511 0.1161 2 0.5
F1 F 0 0.13713 0.5 10 1
F2 F 0 0.36522 0 10 1
F3 F 0 0 0 10 1
C1 C 0.173 0.015 0.578 10 0.364
C2 C 0.221 0.001 0.654 10 0.364
N3 N 0.299 0.015 0.68 10 0.364
C4 C 0.297 0.037 0.618 10 0.364
N5 N 0.221 0.037 0.555 10 0.364
C6 C 0.191 0.056 0.477 10 0.364
C7 C 0.373 0.057 0.616 10 0.364
C8 C 0.437 0.054 0.521 10 0.364
C9 C 0.37 0.007 0.757 10 0.364
C10 C 0.352 0.021 0.862 10 0.364
C11 C 0.427 0.013 0.943 10 0.364
H12 H 0.107 0.009 0.541 10 0.364
H13 H 0.201 -0.017 0.689 10 0.364
H14 H 0.189 0.047 0.398 10 0.364
H15 H 0.24 0.073 0.475 10 0.364
H16 H 0.12 0.064 0.498 10 0.364
H17 H 0.417 0.056 0.688 10 0.364
H18 H 0.396 0.056 0.447 10 0.364
H19 H 0.472 0.035 0.523 10 0.364
H20 H 0.492 0.069 0.521 10 0.364
H21 H 0.441 0.012 0.726 10 0.364
H22 H 0.366 -0.015 0.769 10 0.364
H23 H 0.282 0.015 0.892 10 0.364
H24 H 0.353 0.042 0.851 10 0.364
H25 H 0.498 0.019 0.915 10 0.364
H26 H 0.425 -0.008 0.957 10 0.364
H27 H 0.412 0.024 0.018 10 0.364
H28 H 0.341 0.077 0.616 10 0.364
C31 C -0.31 0.793 0.49 10 0.364
C32 C -0.348 0.817 0.47 10 0.364
N33 N -0.44 0.814 0.45 10 0.364
C34 C -0.457 0.788 0.46 10 0.364
N35 N -0.378 0.7748 0.485 10 0.364
C36 C -0.365 0.7467 0.502 10 0.364
C37 C -0.551 0.775 0.44 10 0.364
C38 C -0.551 0.762 0.33 10 0.364
C39 C -0.506 0.835 0.42 10 0.364
C40 C -0.563 0.844 0.52 10 0.364
C41 C -0.633 0.865 0.49 10 0.364
H42 H -0.237 0.789 0.52 10 0.364
H43 H -0.312 0.836 0.48 10 0.364
H44 H -0.313 0.739 0.444 10 0.364
H45 H -0.431 0.736 0.493 10 0.364
H46 H -0.337 0.743 0.583 10 0.364
H47 H -0.608 0.79 0.44 10 0.364
H48 H -0.495 0.747 0.32 10 0.364
H49 H -0.538 0.777 0.27 10 0.364
H50 H -0.62 0.753 0.31 10 0.364
H51 H -0.553 0.829 0.36 10 0.364
H52 H -0.47 0.852 0.39 10 0.364
H53 H -0.514 0.851 0.58 10 0.364
H54 H -0.602 0.827 0.55 10 0.364
H55 H -0.68 0.858 0.43 10 0.364
H56 H -0.6 0.883 0.46 10 0.364
H57 H -0.673 0.871 0.56 10 0.364
H58 H -0.567 0.761 0.5 10 0.364
# End of data for HPM-16_as-made