#------------------------------------------------------------------------------
#$Date: 2016-12-27 05:02:40 +0200 (Tue, 27 Dec 2016) $
#$Revision: 189433 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/49/1544902.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_1544902
loop_
_publ_author_name
'Kudoh, Y.'
'Takeuchi, Y.'
_publ_section_title
;
 Thermal stability of clinoptilolite: the crystal structure at 350C
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              392
_journal_page_last               406
_journal_volume                  11
_journal_year                    1983
_chemical_formula_sum
'Al6.33 Ca1.16 H20.1 K1.68 Mg0.25 Na1.8 O92.1 Si29.81'
_chemical_name_common            Ca1.16Na1.8K1.68Mg0.25Al6.33Si29.81O72*20.1H2O
_chemical_name_mineral           'clinoptilolite at 350 C'
_space_group_IT_number           2
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.21(5)
_cell_angle_beta                 116.76(5)
_cell_angle_gamma                90.19(5)
_cell_formula_units_Z            1
_cell_length_a                   17.698(15)
_cell_length_b                   17.511(8)
_cell_length_c                   7.392(5)
_cell_volume                     2045(3)
_cod_data_source_file            clinoptilolit-350C.cif
_cod_data_source_block           clinoptilolote
_cod_original_formula_sum
'Ca1.16 Na1.8 K1.68 Mg0.25 Al6.33 Si29.81 O92.1 H20.1'
_cod_database_code               1544902
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, -z'
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
T1A 0.82 0.17900(10) 0.1645(2) 0.0913(4) Biso 2.792198 Si
T1A 0.18 0.17900(10) 0.1645(2) 0.0913(4) Biso 2.792198 Al
T1B 0.82 -0.17980(10) 0.1651(2) -0.0943(4) Biso 2.813798 Si
T1B 0.18 -0.17980(10) 0.1651(2) -0.0943(4) Biso 2.813798 Al
T2A 0.82 0.2065(2) 0.4104(2) 0.5017(4) Biso 2.767421 Si
T2A 0.18 0.2065(2) 0.4104(2) 0.5017(4) Biso 2.767421 Al
T2B 0.82 -0.2053(2) 0.4108(2) -0.4967(4) Biso 2.813480 Si
T2B 0.18 -0.2053(2) 0.4108(2) -0.4967(4) Biso 2.813480 Al
T3A 0.82 0.2137(2) 0.1857(2) 0.7243(4) Biso 2.920735 Si
T3A 0.18 0.2137(2) 0.1857(2) 0.7243(4) Biso 2.920735 Al
T3B 0.82 -0.2145(2) 0.1856(2) -0.7261(4) Biso 2.849964 Si
T3B 0.18 -0.2145(2) 0.1856(2) -0.7261(4) Biso 2.849964 Al
T4A 0.82 0.06770(10) 0.2882(2) 0.4208(4) Biso 2.794528 Si
T4A 0.18 0.06770(10) 0.2882(2) 0.4208(4) Biso 2.794528 Al
T4B 0.82 -0.06750(10) 0.2887(2) -0.4192(4) Biso 2.822285 Si
T4B 0.18 -0.06750(10) 0.2887(2) -0.4192(4) Biso 2.822285 Al
T5 0.82 0.00020(10) 0.2100(2) 0.0005(4) Biso 2.864780 Si
T5 0.18 0.00020(10) 0.2100(2) 0.0005(4) Biso 2.864780 Al
O1 1.0 0.1842(5) 0.4996(4) 0.4473(13) Biso 5.285220 O
O2A 1.0 0.2462(5) 0.1183(5) 0.6306(14) Biso 6.105094 O
O2B 1.0 -0.2481(5) 0.1170(5) -0.6402(13) Biso 5.822897 O
O3A 1.0 0.1917(5) 0.1433(5) 0.8889(11) Biso 2.920735 O
O3B 1.0 -0.1927(5) 0.1440(5) -0.8964(11) Biso 5.290992 O
O4A 1.0 0.2313(5) 0.0984(5) 0.2559(13) Biso 5.888122 O
O4B 1.0 -0.2324(5) 0.1009(5) -0.2611(13) Biso 5.818267 O
O5 1.0 0.0002(7) 0.3063(7) 0.4994(15) Biso 7.309991 O
O6A 1.0 0.0800(4) 0.1556(4) 0.0420(13) Biso 4.695532 O
O6B 1.0 -0.0814(4) 0.1562(5) -0.0438(13) Biso 5.019135 O
O7A 1.0 0.1295(5) 0.2218(5) 0.5466(13) Biso 5.843240 O
O7B 1.0 -0.1313(5) 0.2229(5) -0.5490(13) Biso 6.165681 O
O8A 1.0 0.0196(5) 0.2636(5) 0.1909(13) Biso 5.750339 O
O8B 1.0 -0.0184(5) 0.2640(5) -0.1878(11) Biso 5.667732 O
O9A 1.0 0.2149(5) 0.2495(4) 0.1694(13) Biso 4.805273 O
O9B 1.0 -0.2137(5) 0.2506(4) -0.1691(13) Biso 4.705558 O
O10A 1.0 0.1192(5) 0.3642(5) 0.4406(2) Biso 5.979984 O
O10B 1.0 -0.1172(5) 0.3649(5) -0.4333(14) Biso 6.350996 O
M3A 0.1280 0.2590(10) 0.0010(10) 0.928(3) Biso 3.900000 K
M3A 0.1250 0.2590(10) 0.0010(10) 0.928(3) Biso 3.900000 Na
M3B 0.0910 0.228(2) 0.003(2) 0.976(6) Biso 5.900000 K
M3B 0.0940 0.228(2) 0.003(2) 0.976(6) Biso 5.900000 Na
M3C 0.0830 0.219(2) 0.002(2) 0.835(6) Biso 5.100000 K
M3C 0.0800 0.219(2) 0.002(2) 0.835(6) Biso 5.100000 Na
M3D 0.0810 0.270(2) -0.004(2) 0.013(7) Biso 5.500000 K
M3D 0.0730 0.270(2) -0.004(2) 0.013(7) Biso 5.500000 Na
W1 0.1500 0.262(5) 0.000(3) 0.844(14) Biso 4.200000 O
W4 0.1500 0.490(5) 0.015(5) 0.472(14) Biso 7.000000 O
W5 0.0700 0.000000 0.000000 0.000000 Biso 7.000000 O
