#*********************************************************************************
#
# Crystallographic Information File for Weinebeneite
#
# Reference :
# Walter, F.
# Eur. J. Mineral., 4, 1275-1283, (1992)
#
#
# 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_Weinebeneite
_chemical_name_systematic 'Weinebeneite'

_cell_length_a 11.897
_cell_length_b 9.707
_cell_length_c 9.633
_cell_angle_alpha 90
_cell_angle_beta 95.76
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 1 c 1'
_symmetry_space_group_name_H-M 'C 1 c 1'
_symmetry_space_group_name_Hall 'C -2yc'
_space_group.IT_number 9

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
Ca Ca 0.1124 0.0853 0.3718 1.32 1
Be1 Be -0.3006 0.8817 0.1613 0.65 1
Be2 Be -0.1925 0.3821 0.346 0.78 1
Be3 Be 0.0014 0.5184 0.2517 0.66 1
P1 P 0.2785 0.0985 0.1409 0.54 1
P2 P -0.278 0.0992 0.3606 0.71 1
O1 O -0.0939 0.6163 0.165 0.87 1
O2 O 0.215 0.7795 0.6971 0.97 1
O3 O 0.2388 0.9725 0.2213 0.71 1
O4 O 0.2431 0.923 0.4847 0.89 1
O5 O 0.2853 0.7213 0.3029 1.02 1
O6 O 0.2573 0.5836 0.5177 0.91 1
O7 O 0.0943 0.621 0.3323 1.25 1
O8 O 0.2597 0.4676 0.2905 0.99 1
OH9 O1-(OH) 0.0638 0.4212 0.1442 1.08 1
OH10 O1-(OH) -0.0622 0.4263 0.3603 1.04 1
H2O1 O2-(H2O) -0.5254 0.6453 0.1881 1.85 1
H2O2 O2-(H2O) 0.4918 0.3807 0.378 2.2 1
H2O3 O2-(H2O) 0.4905 0.3629 0.0437 2.09 1
H2O41 O2-(H2O) 0.225 0.7474 0.0035 2.19 0.55
H2O42 O2-(H2O) 0.195 0.7323 0.0061 1.74 0.45
# End of data for Weinebeneite