#*********************************************************************************
#
# Crystallographic Information File for Martinandresite
#
# Reference :
# Chukanov, N.V., Zubkova, N.V., Meisser, N., Ansermet, S., Weiss, S., Pekov, I.V., Belakovskiy, D.I., Vozchikova, S.A., Britvin, S.N., Pushcharovsky, D.Y.
# Physics and Chemistry of Minerals, 45, 511-521, (2018)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_Martinandresite
_chemical_name_systematic 'Martinandresite'
_cell_length_a 9.464
_cell_length_b 14.2288
_cell_length_c 6.994
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P m m n'
_symmetry_space_group_name_H-M 'P m m n'
_symmetry_space_group_name_Hall ''
_space_group.IT_number
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
Ba1 Ba 0.75 0.25 0.80553 1.68 1
Si1 Si 0.08452 0.51364 0.3028 1.17 0.74
Al1 Al 0.08452 0.51364 0.3028 1.17 0.26
Si2 Si 0.58758 0.64032 0.0213 1.16 0.74
Al2 Al 0.58758 0.64032 0.0213 1.16 0.26
O1 O 0.5 0 0.5 3.62 1
O2 O 0.5656 -0.0812 0.8248 2.68 1
O3 O 0.0238 0.6059 0.185 2.58 1
O4 O 0.25 0.1313 0.9011 2.31 1
O5 O 0.25 0.9604 0.3435 2.61 1
O6 O 0.5424 0.75 0.9812 2.32 1
O7 O 0.4228 0.75 0.5302 4.03 1
O8 O 0.25 0.8618 0.8454 4.03 1
O9 O 0.75 0.726 0.489 10 0.5
Na1 Na 0.75 0.75 0.869 6.32 0.07
# End of data for Martinandresite