#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Roggianite <br>
#<br>
# Reference : <br>
#   Wang, Y., Marler, B., Gies, H. and M&uuml;ller, U.<br>
#   Chem. Mater., 17, 43-49, (2005)<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_Roggianite<br>
_chemical_name_systematic 'Roggianite'<br><br>

_cell_length_a      7.345<br>
_cell_length_b      8.724<br>
_cell_length_c      17.152 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    114.2 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P 1 2/c 1'<br>
_symmetry_space_group_name_H-M   'P 1 2/c 1'<br>
_symmetry_space_group_name_Hall  '-P 2yc'<br>
_space_group.IT_number  13 <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  -0.062  0.8238  -0.0084  1.61  1<br>
Si2  Si  0.6912  0.3973  0.9447  1.61  1<br>
Si3  Si  0.2873  0.6479  0.6786  1.61  1<br>
Si4  Si  0.273  0.347  0.9209  1.61  1<br>
Si5  Si  0  0.4969  0.25  1.61  1<br>
O1  O  0.1315  0.7211  0.0296  1.8  1<br>
O2  O  0  0  0  1.8  1<br>
O3  O  0.8079  0.7985  0.0468  1.8  1<br>
O4  O  0.8077  0.777  0.8939  1.8  1<br>
O5  O  0.7255  0.5097  0.0222  1.8  1<br>
O6  O  0.4877  0.3072  0.924  1.8  1<br>
O7  O  0.6798  0.4931  0.864  1.8  1<br>
O8  O  0.142  0.6127  0.7243  1.8  1<br>
O9  O  0.5  0.7013  0.75  1.8  1<br>
O10  O  0.1281  0.3913  0.8263  1.8  1<br>

# End of data for Roggianite<br>