#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Chiavennite <br>
#<br>
# Reference : <br>
#   Tazzoli, V., Domeneghetti, M.C., Mazzi, F. and Cannillo, E.<br>
#   Eur. J. Mineral., 7, 1339-1344, (1995)<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_Chiavennite<br>
_chemical_name_systematic 'Chiavennite'<br><br>

_cell_length_a      8.729<br>
_cell_length_b      31.326<br>
_cell_length_c      4.903 <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 n a b'<br>
_symmetry_space_group_name_H-M   'P n a b'<br>
_symmetry_space_group_name_Hall  '-P 2bc 2n'<br>
_space_group.IT_number  60 <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>
CA  Ca  0.25  0.08789  0  1.45  1<br>
MN  Mn  0  0  0  1.2  1<br>
SI1  Si  0.25  0.00131  0.5  0.98  1<br>
SI2  Si  0.58376  0.23216  0.10475  1.46  1<br>
SI3  Si  0.14247  -0.13511  0.2436  1.53  1<br>
BE1  Be  -0.00037  0.05722  -0.42986  0.69  1<br>
O1  O  0.13917  -0.02785  0.31336  1.22  1<br>
O2  O  0.1517  0.03243  -0.29572  1.21  1<br>
O3  O  0.04143  0.23906  0.13475  3.23  1<br>
O4  O  0.25  -0.24779  0  2.25  1<br>
O5  O  0.25  -0.11875  0  6.1  1<br>
O6  O  0.25  -0.13872  0.5  0.28  1<br>
O7  O  0.07997  -0.18239  0.17734  2.7  1<br>
O8  O  0.00055  -0.10438  0.2705  1.63  1<br>
OH  O1-(OH)  0.01254  0.05814  0.24296  1.63  1<br>
H2O  O2-(H2O)  0.15815  0.14739  0.26022  2.93  1<br>

# End of data for Chiavennite<br>