#*********************************************************************************
#
# Crystallographic Information File for EMM-3, calcined
#
# Reference :
# Afeworki, M., Dorset, D.L., Kennedy, G.J. and Strohmaier, K.G.
# Chem. Mater., 18, 1697-1704, (2006)
#
#
# 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-3_calcined
_chemical_name_systematic 'EMM-3, calcined'

_cell_length_a 10.3132
_cell_length_b 12.6975
_cell_length_c 21.866
_cell_angle_alpha 89.656
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'I 2/m 1 1'
_symmetry_space_group_name_H-M 'I 2/m 1 1'
_symmetry_space_group_name_Hall '-I 2x'
_space_group.IT_number 12

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 0.2247 0.3744 0.1119 0.94 1
Al2 Al 0 0.5563 0.65436 0.94 1
Al3 Al 0 0.8722 0.79486 0.94 1
Al4 Al 0 0.8762 0.43411 0.94 1
Al5 Al 0.219 0.5 0.5 0.94 1
P6 P 0.7784 0.1322 0.11182 0.94 1
P7 P 0 0.6216 0.79177 0.94 1
P8 P 0 0.6292 0.4322 0.94 1
P9 P 0 0.9457 0.66029 0.94 1
P10 P 0.7767 0 0.5 0.94 1
O11 O 0 0.5584 0.73316 0.87 1
O12 O 0 0.7391 0.7734 0.87 1
O13 O 0 0.5766 0.3683 0.87 1
O14 O 0 0.7454 0.4179 0.87 1
O15 O 0.195 0.755 0.91026 0.87 1
O16 O 0 0.952 0.72943 0.87 1
O17 O 0 0.943 0.3667 0.87 1
O18 O 0.1984 0.4528 0.05108 0.87 1
O19 O 0.1196 0.4071 0.17172 0.87 1
O20 O 0.3813 0.3856 0.13894 0.87 1
O21 O 0.8785 0.4039 0.53492 0.87 1
O22 O 0.8097 0.0611 0.057 0.87 1
O23 O 0.8573 0.1001 0.16663 0.87 1
O24 O 0.6346 0.1171 0.1242 0.87 1
O25 O 0.1348 0.0904 0.523 0.87 1
# End of data for EMM-3_calcined