#------------------------------------------------------------------------------
#$Date: 2020-04-29 03:52:13 +0300 (Wed, 29 Apr 2020) $
#$Revision: 251267 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/79/1557949.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1557949
loop_
_publ_author_name
'Arletti, R.'
'Vezzalini, G.'
'Quartieri, S.'
'Camara, F.'
'Alvaro, M.'
_publ_section_title
;
 A new framework topology in the dehydrated form of zeolite levyne
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2063
_journal_page_last               2074
_journal_paper_doi               10.2138/am.2013.4583
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Al20 Ca7.8 H103 K1.1 Na2.2 O159.5 Si34.2'
_chemical_name_common            (Ca7.8Na2.2K1.1)(Al20Si34.2O108)51.5H2O
_chemical_name_mineral           'levyne single crystal data (dehydrated)'
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.8585(7)
_cell_length_b                   12.8585(7)
_cell_length_c                   23.419(3)
_cell_volume                     3353.4(5)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            levyne-RT-rev.cif
_cod_data_source_block           levyne-RT-rev-SC
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ca7.8 Na2.2 K1.1 Al20 Si34.2 O159.5 H103'
_cod_database_code               1557949
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -y,x-y,z
4 y,-x+y,-z
5 -x+y,-x,z
6 x-y,x,-z
7 y,x,-z
8 -y,-x,z
9 x-y,-y,-z
10 -x+y,y,z
11 -x,-x+y,-z
12 x,x-y,z
13 x+2/3,y+1/3,z+1/3
14 -x+2/3,-y+1/3,-z+1/3
15 -y+2/3,x-y+1/3,z+1/3
16 y+2/3,-x+y+1/3,-z+1/3
17 -x+y+2/3,-x+1/3,z+1/3
18 x-y+2/3,x+1/3,-z+1/3
19 y+2/3,x+1/3,-z+1/3
20 -y+2/3,-x+1/3,z+1/3
21 x-y+2/3,-y+1/3,-z+1/3
22 -x+y+2/3,y+1/3,z+1/3
23 -x+2/3,-x+y+1/3,-z+1/3
24 x+2/3,x-y+1/3,z+1/3
25 x+1/3,y+2/3,z+2/3
26 -x+1/3,-y+2/3,-z+2/3
27 -y+1/3,x-y+2/3,z+2/3
28 y+1/3,-x+y+2/3,-z+2/3
29 -x+y+1/3,-x+2/3,z+2/3
30 x-y+1/3,x+2/3,-z+2/3
31 y+1/3,x+2/3,-z+2/3
32 -y+1/3,-x+2/3,z+2/3
33 x-y+1/3,-y+2/3,-z+2/3
34 -x+y+1/3,y+2/3,z+2/3
35 -x+1/3,-x+y+2/3,-z+2/3
36 x+1/3,x-y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
T1Si 0.517(11) 0.0022(4) 0.2489(4) 0.0596(2) Uiso 0.032(2) Si
T2Si 1.0 0.2481(2) 0.000000 0.500000 Uiso 0.018(1) Si
O1 1.0 0.0159(8) 0.3528(8) 0.1099(3) Uiso 0.078(3) O
O2 0.473(8) 0.0974(7) -0.0974(7) 0.0661(7) Uiso 0.093(5) O
O3 0.34(2) 0.133(5) -0.133(5) -0.0651(9) Uiso 0.093(8) O
O4 1.0 0.321(1) 0.000000 0.000000 Uiso 0.080(4) O
O5 1.0 0.2180(6) -0.2180(6) 0.1656(7) Uiso 0.095(5) O
T1BSi 0.402(4) 0.0011(4) 0.2504(4) 0.2790(2) Uiso 0.026(2) Si
OB1 0.86 0.5589(8) 0.1177(15) 0.0494(7) Uiso 0.087(7) O
OB2 0.48(4) 0.426(2) 0.2131(11) 0.062(1) Uiso 0.071(10) O
C1 0.35(4) 0.000000 0.000000 0.114(2) Uiso 0.180(3) Ca
C3 0.40(3) 0.000000 0.000000 0.287(1) Uiso 0.089(9) Ca
C5 0.22(3) 0.000000 0.000000 0.500000 Uiso 0.057(13) Ca
C5B 0.14(2) 0.000000 0.000000 0.435 Uiso 0.011(2) Ca
C6 0.37(4) 0.000000 0.000000 0.000000 Uiso 0.22(2) Ca
C7 0.29(2) 0.498(3) 0.249(2) 0.143(2) Uiso 0.22(2) Ca
W5 0.43(4) 0.000000 0.000000 0.3825 Uiso 0.065(3) O
W6 0.47(4) 0.000000 0.000000 0.200(4) Uiso 0.081(15) O
W7 0.34(4) -0.080(2) 0.080(2) 0.356(1) Uiso 0.17(6) O
