#*********************************************************************************
#
# Crystallographic Information File for AlPO-78
#
# Reference :
# Yuhas, B.D., Mowat, J.P.S., Miller, M.A. and Sinkler, W.
# private communication, , , (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_AlPO-78
_chemical_name_systematic 'AlPO-78'

_cell_length_a 12.9291
_cell_length_b 12.9291
_cell_length_c 61.4549
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'R -3'
_symmetry_space_group_name_H-M 'R -3'
_symmetry_space_group_name_Hall '-R 3'
_space_group.IT_number 148
_space_group.IT_coordinate_system_code 'H'

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 0.2381 0.243 0.02469 3.21 1
Al2 Al 0.4196 0.3322 -0.0637 3.21 1
Al3 Al 0.4266 0.3372 0.10318 3.21 1
Al4 Al 0.4286 0.3367 -0.14119 3.21 1
P1 P 0.2388 0.2452 -0.02541 3.21 1
P2 P 0.335 0.4252 0.06275 3.21 1
P3 P 0.3344 0.421 -0.10378 3.21 1
P4 P 0.3283 0.4204 0.14187 3.21 1
O1 O 0.2775 0.2841 -0.0022 3.39 1
O2 O 0.0866 0.1986 0.02775 3.39 1
O3 O 0.2593 0.126 0.0314 3.39 1
O4 O 0.3232 0.3686 0.0407 3.39 1
O5 O 0.3383 0.3195 -0.0413 3.39 1
O6 O 0.438 0.552 0.06175 3.39 1
O7 O 0.221 0.4263 0.06846 3.39 1
O8 O 0.359 0.3578 0.0803 3.39 1
O9 O 0.3509 0.354 -0.0855 3.39 1
O10 O 0.572 0.448 0.10329 3.39 1
O11 O 0.4112 0.198 0.10154 3.39 1
O12 O 0.3502 0.337 0.1265 3.39 1
O13 O 0.3399 0.3696 -0.1252 3.39 1
O14 O 0.331 0.3827 0.1655 3.39 1
O15 O 0.423 0.5542 0.13816 3.39 1
O16 O 0.208 0.408 0.13486 3.39 1
# End of data for AlPO-78