#*********************************************************************************
#
# Crystallographic Information File for SCM-15
#
# Reference :
# Luo, Y., Smeets, S., Wang, Z., Sun, J. and Yang, W.
# Chem. Eur. J., 25, 2184-2188, (2019)
#
#
# 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_SCM-15
_chemical_name_systematic 'SCM-15'

_cell_length_a 24.8839
_cell_length_b 26.7212
_cell_length_c 12.6789
_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 0.201 0.056 0.5 2.6 1
Si2 Si 0.1337 0.091 0.315 2.6 1
Si3 Ge 0.1979 0.0601 0.121 2.6 0.26
Si3 Si 0.1979 0.0601 0.121 2.6 0.74
Si4 Si 0.062 0 0.374 2.6 1
Si5 Ge 0.06 0.1791 0.374 2.6 0.37
Si5 Si 0.06 0.1791 0.374 2.6 0.63
Si6 Ge 0.0597 0.2972 0.374 2.6 0.18
Si6 Si 0.0597 0.2972 0.374 2.6 0.82
Si7 Si 0.1092 0.396 0.312 2.6 1
Si8 Si 0.17 0.445 0.5 2.6 1
Si9 Ge 0.1712 0.4421 0.129 2.6 0.48
Si9 Si 0.1712 0.4421 0.129 2.6 0.52
Si10 Si 0 0.441 0.385 2.6 1
O1 O 0.237 0.429 0.15 1.5 1
O2 O 0.159 0.5 0.165 1.5 1
O3 O 0.157 0.436 0 1.5 1
O4 O 0.133 0.406 0.199 1.5 1
O5 O 0.105 0.144 0.326 1.5 1
O6 O 0.158 0.089 0.2 1.5 1
O7 O 0.182 0.086 0.398 1.5 1
O8 O 0.09 0.048 0.329 1.5 1
O9 O 0.185 0.078 0 1.5 1
O10 O 0.185 0 0.133 1.5 1
O11 O 0 0 0.34 1.5 1
O12 O 0.067 0 0.5 1.5 1
O13 O 0.103 0.336 0.324 1.5 1
O14 O 0.15 0.416 0.399 1.5 1
O15 O 0.053 0.424 0.322 1.5 1
O16 O 0.06 0.305 0.5 1.5 1
O17 O 0.074 0.238 0.346 1.5 1
O18 O 0 0.31 0.329 1.5 1
O19 O 0 0.164 0.329 1.5 1
O20 O 0.06 0.171 0.5 1.5 1
O21 O 0.234 0.448 0.5 1.5 1
O22 O 0.145 0.5 0.5 1.5 1
O23 O 0.176 0 0.5 1.5 1
O24 O 0 0.417 0.5 1.5 1
O25 O 0 0.5 0.396 1.5 1
# End of data for SCM-15