#*********************************************************************************
#
# Crystallographic Information File for Terranovaite
#
# Reference :
# Galli, E., Quartieri, S., Vezzalini, G., Alberti, A. and Franzini, M.
# Am. Mineral., 82, 423-429, (1997)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_Terranovaite
_chemical_name_systematic 'Terranovaite'
_cell_length_a 9.747
_cell_length_b 23.88
_cell_length_c 20.068
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C m c m'
_symmetry_space_group_name_H-M 'C m c m'
_symmetry_space_group_name_Hall '-C 2c 2'
_space_group.IT_number 63
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 0.4524 0.3281 1.01 0.846
Al1 Al 0 0.4524 0.3281 1.01 0.154
Si2 Si 0 0.544 0.4396 1.18 0.846
Al2 Al 0 0.544 0.4396 1.18 0.154
Si3 Si 0.7919 0.3604 0.3728 1.28 0.846
Al3 Al 0.7919 0.3604 0.3728 1.28 0.154
Si4 Si 0.7917 0.6392 0.4694 1.13 0.846
Al4 Al 0.7917 0.6392 0.4694 1.13 0.154
Si5 Si 0 0.1806 0.4414 1.07 0.846
Al5 Al 0 0.1806 0.4414 1.07 0.154
Si6 Si 0 0.7321 0.4365 1.01 0.846
Al6 Al 0 0.7321 0.4365 1.01 0.154
Si7 Si 0 0.2697 0.3272 1.15 0.846
Al7 Al 0 0.2697 0.3272 1.15 0.154
Si8 Si 0 0.8252 0.3289 1.02 0.846
Al8 Al 0 0.8252 0.3289 1.02 0.154
O1 O 0 0.4692 0.25 3.41 1
O2 O 0 0.5113 0.3679 3.97 1
O3 O 0.1367 0.416 0.3453 3.74 1
O4 O 0 0.5 0.5 5.66 1
O5 O 0.863 0.5836 0.4415 3.97 1
O6 O 0.1958 0.3583 0.4512 5.04 1
O7 O 0.6325 0.3623 0.3488 3.16 1
O8 O 0.8661 0.3057 0.3415 3.47 1
O9 O 0.3663 0.6374 0.4453 2.34 1
O10 O 0.8655 0.6932 0.4377 3.03 1
O11 O 0 0.2124 0.3685 2.93 1
O12 O 0 0.7751 0.497 3.09 1
O13 O 0 0.7648 0.3656 2.39 1
O14 O 0 0.2515 0.25 3.28 1
O15 O 0 0.8123 0.25 4.01 1
Na1 Na 0 0.0458 0.4442 0.7 0.03632
Na2 Na 0 0.0403 0.25 1.6 0.05564
Na3 Na 0.3578 0.4603 0.25 9.2 0.07573
Na4 Na 0.1457 0.0399 0.3495 9.5 0.05718
Na5 Na 0 0.6982 0.25 9.5 0.04327
Na6 Na 0 0.9509 0.4405 9.5 0.04327
Na7 Na 0.9089 0.1288 0.25 9.5 0.04327
Na8 Na 0.3519 0.4804 0.4598 8.2 0.02859
Na9 Na 0 0.9651 0.3547 4.1 0.02009
Na10 Na 0 0.5972 0.25 11.8 0.04327
Na11 Na 0.3056 0.1983 0.25 9.5 0.03709
Na12 Na 0.1901 0.0815 0.1907 8.7 0.01545
K1 K 0 0.0458 0.4442 0.7 0.00142
K2 K 0 0.0403 0.25 1.6 0.00218
K3 K 0.3578 0.4603 0.25 9.2 0.00297
K4 K 0.1457 0.0399 0.3495 9.5 0.00224
K5 K 0 0.6982 0.25 9.5 0.0017
K6 K 0 0.9509 0.4405 9.5 0.0017
K7 K 0.9089 0.1288 0.25 9.5 0.0017
K8 K 0.3519 0.4804 0.4598 8.2 0.00112
K9 K 0 0.9651 0.3547 4.1 0.00079
K10 K 0 0.5972 0.25 11.8 0.0017
K11 K 0.3056 0.1983 0.25 9.5 0.00145
K12 K 0.1901 0.0815 0.1907 8.7 0.00061
Mg1 Mg 0 0.0458 0.4442 0.7 0.00142
Mg2 Mg 0 0.0403 0.25 1.6 0.00218
Mg3 Mg 0.3578 0.4603 0.25 9.2 0.00297
Mg4 Mg 0.1457 0.0399 0.3495 9.5 0.00224
Mg5 Mg 0 0.6982 0.25 9.5 0.0017
Mg6 Mg 0 0.9509 0.4405 9.5 0.0017
Mg7 Mg 0.9089 0.1288 0.25 9.5 0.0017
Mg8 Mg 0.3519 0.4804 0.4598 8.2 0.00112
Mg9 Mg 0 0.9651 0.3547 4.1 0.00079
Mg10 Mg 0 0.5972 0.25 11.8 0.0017
Mg11 Mg 0.3056 0.1983 0.25 9.5 0.00145
Mg12 Mg 0.1901 0.0815 0.1907 8.7 0.00061
Ca1 Ca 0 0.0458 0.4442 0.7 0.03205
Ca2 Ca 0 0.0403 0.25 1.6 0.04909
Ca3 Ca 0.3578 0.4603 0.25 9.2 0.06682
Ca4 Ca 0.1457 0.0399 0.3495 9.5 0.05045
Ca5 Ca 0 0.6982 0.25 9.5 0.03818
Ca6 Ca 0 0.9509 0.4405 9.5 0.03818
Ca7 Ca 0.9089 0.1288 0.25 9.5 0.03818
Ca8 Ca 0.3519 0.4804 0.4598 8.2 0.02523
Ca9 Ca 0 0.9651 0.3547 4.1 0.01773
Ca10 Ca 0 0.5972 0.25 11.8 0.03818
Ca11 Ca 0.3056 0.1983 0.25 9.5 0.03273
Ca12 Ca 0.1901 0.0815 0.1907 8.7 0.01364
# End of data for Terranovaite