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


data_Melanophlogite<br>
_chemical_name_systematic 'Melanophlogite'<br><br>

_cell_length_a      13.436<br>
_cell_length_b      13.436<br>
_cell_length_c      13.436 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P m -3 n'<br>
_symmetry_space_group_name_H-M   'P m -3 n'<br>
_symmetry_space_group_name_Hall  '-P 4n 2 3'<br>
_space_group.IT_number  223 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
SI1  Si  0  0.3098  0.1142  1.71  1<br>
SI2  Si  0.1826  0.1826  0.1826  1.72  1<br>
SI3  Si  0.25  0  0.5  1.43  1<br>
O1  O  0.0963  0.2465  0.136  4.88  1<br>
O2  O  0  0.4056  0.1813  4.78  1<br>
O3  O  0.3423  0  0  2.76  1<br>
O4  O  0.25  0.25  0.25  5.81  1<br>
C1  C  0.25  0.5  0  39.37  1<br>
C2  C  0  0  0  13.74  1<br>

# End of data for Melanophlogite<br>