#*********************************************************************************
#
# Crystallographic Information File for Melanophlogite
#
# Reference :
# Gies, H.
# Z. Kristallogr., 164, 247-257, (1983)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: http://www.iza-structure.org/databases/
#
#**********************************************************************************
data_Melanophlogite
_chemical_name_systematic 'Melanophlogite'

_cell_length_a 13.436
_cell_length_b 13.436
_cell_length_c 13.436
_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 -3 n'
_symmetry_space_group_name_H-M 'P m -3 n'
_symmetry_space_group_name_Hall '-P 4n 2 3'
_space_group.IT_number 223

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 0.3098 0.1142 1.71 1
SI2 Si 0.1826 0.1826 0.1826 1.72 1
SI3 Si 0.25 0 0.5 1.43 1
O1 O 0.0963 0.2465 0.136 4.88 1
O2 O 0 0.4056 0.1813 4.78 1
O3 O 0.3423 0 0 2.76 1
O4 O 0.25 0.25 0.25 5.81 1
C1 C 0.25 0.5 0 39.37 1
C2 C 0 0 0 13.74 1
# End of data for Melanophlogite