#*********************************************************************************
#
# Crystallographic Information File for Beryllophosphate-H
#
# Reference :
# Harvey, G., Baerlocher, Ch. and Wroblewski, T.
# Z. Kristallogr., 201, 113-123, (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_Beryllophosphate-H
_chemical_name_systematic 'Beryllophosphate-H'
_cell_length_a 12.5815
_cell_length_b 12.5815
_cell_length_c 12.4508
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 3 2 1'
_symmetry_space_group_name_H-M 'P 3 2 1'
_symmetry_space_group_name_Hall 'P 3 2"'
_space_group.IT_number 150
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
NA1 Na 0.3333 0.6667 0.502 1.02 1
NA2 Na 0.184 0.164 0.317 14.28 1.06
K1 K 0.626 0 0.5 1.02 1
K2 K 0.523 0 0 13.59 0.83
BE1 Be 0.6667 0.3333 0.1311 0.09 1
BE2 Be 0.3576 0.4981 0.2681 3.09 1
BE3 Be 0.6996 0.5607 0.3819 0.33 1
P1 P 0.3333 0.6667 0.1199 0.08 1
P2 P 0.4907 0.3534 0.2699 1.74 1
P3 P 0.5609 0.6992 0.3793 1.11 1
O1 O 0.5696 0.3736 0.1701 3.24 1
O2 O 0.3333 0.6667 -0.0013 2.46 1
O3 O 0.4332 0.592 0.3659 0.09 1
O4 O 0.4078 0.4054 0.252 0.09 1
O5 O 0.5869 0.8005 0.2973 3.72 1
O6 O 0.4231 0.7992 0.1584 0.96 1
O7 O 0.4102 0.2168 0.2954 0.09 1
O8 O 0.5842 0.4242 0.3611 1.74 1
O9 O 0.6548 0.6592 0.3646 2.85 1
O10 O 0.5705 0.7509 0.4945 1.65 1
H2O1 O2-(H2O) 0.406 0.282 -0.002 7.41 1.25
H2O2 O2-(H2O) 0.079 -0.07 0.16 18.54 0.83
H2O3 O2-(H2O) 0.045 0.237 -0.116 12 1.06
H2O4 O2-(H2O) 0.044 0.168 0.515 9.09 1.02
H2O5 O2-(H2O) 0.647 0.622 0.129 10.65 0.92
# End of data for Beryllophosphate-H