#*********************************************************************************
#
# Crystallographic Information File for Mg-STA-7
#
# Reference :
# Wright, P.A., Maple, M.J., Slawin, A.M.Z., Patinec, V., Aitken, R.A., Welsh, S. and Cox, P.A.
# J. Chem. Soc., Dalton Trans., , 1243-1248, (2000)
#
#
# 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_Mg-STA-7
_chemical_name_systematic 'Mg-STA-7'

_cell_length_a 18.7732
_cell_length_b 18.7732
_cell_length_c 9.4537
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 4/n'
_symmetry_space_group_name_H-M 'P 4/n'
_symmetry_space_group_name_Hall '-P 4a'
_space_group.IT_number 85
_space_group.IT_coordinate_system_code '2'

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
Al1 Al 0.06412 0.66568 0.0809 2.04 0.8
Al2 Al 0.95577 0.83599 0.8422 2.13 0.8
Al3 Al 0.9493 0.43481 0.3358 1.99 0.8
Mg1 Mg 0.06412 0.66568 0.0809 2.04 0.2
Mg2 Mg 0.95577 0.83599 0.8422 2.13 0.2
Mg3 Mg 0.9493 0.43481 0.3358 1.99 0.2
P1 P 0.06413 0.55768 0.3363 2.12 1
P2 P 0.94979 0.66685 0.8378 2.12 1
P3 P 0.06624 0.8342 0.0942 2.15 1
O1 O 0.0574 0.6243 0.2463 3.78 1
O2 O 0.0754 0.5807 0.4878 3.73 1
O3 O 0.1273 0.5128 0.2903 3.67 1
O4 O 0.995 0.5162 0.3239 3.8 1
O5 O 0.9849 0.6567 0.9811 3.6 1
O6 O 0.9974 0.6359 0.7225 3.6 1
O7 O 0.8779 0.6292 0.8402 3.9 1
O8 O 0.9376 0.7442 0.8068 4.1 1
O9 O 0.9979 0.8449 0.0127 3.88 1
O10 O 0.1297 0.863 0.0146 3.62 1
O11 O 0.0599 0.8703 0.2363 4.14 1
O12 O 0.0795 0.7556 0.1207 3.97 1
# End of data for Mg-STA-7