#***************************************************************************
#
# Crystallographic Information File for Keatite
#
# Shropshire, J., Keat, P.P. and Vaughan, P.A.
# Z. Kristallogr.,  112,  409-413  (1959)
#
# CIF taken from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/
#
#***************************************************************************

data_
_chemical_name_systematic
'Keatite'
_chemical_formula_structural
'[Si₁₂O₂₄]'

_cell_length_a    7.46
_cell_length_b    7.46
_cell_length_c    8.61
_cell_angle_alpha    90
_cell_angle_beta    90
_cell_angle_gamma    90
_cell_formula_units_Z 1
_symmetry_space_group_name_H-M    'P4₃2₁2'

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  0.326  0.120  0.248  2.34  1.0
Si2  Si  0.410  0.410  0.000  2.34  1.0
O1  O  0.445  0.132  0.400  2.34  1.0
O2  O  0.117  0.123  0.296  2.34  1.0
O3  O  0.344  0.297  0.143  2.34  1.0

# End of data for Keatite