#------------------------------------------------------------------------------
#$Date: 2020-04-28 05:11:49 +0300 (Tue, 28 Apr 2020) $
#$Revision: 251210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/79/1557936.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_1557936
loop_
_publ_author_name
'Cametti, G.'
'Pacella, A.'
'Mura, F.'
'Rossi, M.'
'Ballirano, P.'
_publ_section_title
;
 New morphological, chemical, and structural data of wooly erionite-Na
 from Durkee, Oregon, U.S.A.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2155
_journal_page_last               2163
_journal_paper_doi               10.2138/am.2013.4474
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum
'Al7.66 H59.66 K1.99 Mg0.24 Na5.38 O101.92 Si28.34'
_chemical_name_common
(Na5.38K1.99Mg0.24)[Al7.66Si28.34O72.09]29.83H2O
_chemical_name_mineral           erionite-Na
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   13.2357(5)
_cell_length_b                   13.2357(5)
_cell_length_c                   15.0652(6)
_cell_volume                     2285.60(15)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            erionite-Na.cif
_cod_data_source_block           erionite-Na
_cod_original_formula_sum
'Na5.38 K1.99 Mg0.24 Al7.66 Si28.34 O101.92 H59.66'
_cod_database_code               1557936
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 -x,-y,z+1/2
8 x,y,-z+1/2
9 y,-x+y,z+1/2
10 -y,x-y,-z+1/2
11 x-y,x,z+1/2
12 -x+y,-x,-z+1/2
13 y,x,-z
14 -y,-x,z
15 x-y,-y,-z
16 -x+y,y,z
17 -x,-x+y,-z
18 x,x-y,z
19 -y,-x,-z+1/2
20 y,x,z+1/2
21 -x+y,y,-z+1/2
22 x-y,-y,z+1/2
23 x,x-y,-z+1/2
24 -x,-x+y,z+1/2
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_B_iso_or_equiv
_atom_site_type_symbol
T1Si 0.8200 0.2331(3) 0.0001(4) 0.10454(16) Biso 0.88(5) Si
T1Al 0.1800 0.2331(3) 0.0001(4) 0.10454(16) Biso 0.88(5) Al
T2Si 0.7300 0.0958(4) 0.4246(5) 0.250000 Biso 0.88(5) Si
T2Al 0.2700 0.0958(4) 0.4246(5) 0.250000 Biso 0.88(5) Al
O1 1.0 0.3483(5) 0.0239(5) 0.6604(5) Biso 1.34(13) O
O2 1.0 0.1005(4) 0.2010(8) 0.1269(7) Biso 1.34(13) O
O3 1.0 0.1270(3) 0.2540(6) 0.6402(8) Biso 1.39(19) O
O4 1.0 0.2634(6) 0.000000 0.000000 Biso 1.34(13) O
O5 1.0 0.2307(6) 0.4614(12) 0.250000 Biso 1.39(19) O
O6 1.0 0.4616(7) 0.9232(14) 0.250000 Biso 1.39(19) O
Ca1 0.112(29) 0.333333 0.666667 0.924(16) Biso 12.3(13) Mg
Ca2 0.806(23) 0.333333 0.666667 0.0893(15) Biso 12.3(13) Na
Ca3 0.44(3) 0.333333 0.666667 0.7068(28) Biso 12.3(13) Na
K1 1.0 0.000000 0.000000 0.250000 Biso 2.63(24) K
OW7 0.641(22) 0.2375(14) 0.475(3) 0.750000 Biso 5.0(3) O
OW8 0.404(17) 0.2565(18) 0.5130(36) 0.9674(28) Biso 9.9(6) O
OW9 0.239(18) 0.498(5) 0.996(10) 0.950(4) Biso 9.9(6) O
OW10 0.565(15) 0.4365(13) 0.8730(26) 0.6601(16) Biso 9.9(6) O
OW11 0.363(24) 0.2707(26) 0.5414(52) 0.647(4) Biso 9.9(6) O
OW12 0.704(23) 0.4365(13) 0.8730(26) 0.050(17) Biso 9.9(6) O
