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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530754.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_1530754
loop_
_publ_author_name
'Shepelev, Yu.F.'
'Butikova, I.K.'
'Smolin, Yu.I.'
'Kozlova, N.I.'
_publ_section_title
;
 Ion exchange of Na for Nd in hydrated zeolite NaX
;
_journal_name_full               Kristallografiya
_journal_page_first              469
_journal_page_last               474
_journal_volume                  24
_journal_year                    1979
_chemical_formula_sum            'Al5 H10.4 Na1.25 Nd1.25 O29.2 Si7'
_chemical_name_systematic        'Na1.25 Nd1.25 (Al5 Si7 O24) (H2 O)5.2'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   24.946
_cell_length_b                   24.946
_cell_length_c                   24.946
_cell_volume                     15523.969
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Shepelev_KRISAJ_1979_406.cif
_cod_data_source_block           H10.4Al5Na1.25Nd1.25O29.2Si7
_cod_original_cell_volume        15523.97
_cod_original_formula_sum        'H10.4 Al5 Na1.25 Nd1.25 O29.2 Si7'
_cod_database_code               1530754
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
-x,z+1/4,y+1/4
-z+3/4,-x+1/4,y+1/2
x+3/4,-z,y+3/4
z,-x+1/4,-y+1/4
x+3/4,z+1/4,-y+1/2
-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
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z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
-z,-y+1/2,-x+1/2
-y+1/4,-z+1/4,x
z+1/4,-y,x+1/4
-z+1/2,y+1/4,x+3/4
-x,-y,-z
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y,x,z
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x,z,y
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x+3/4,z+3/4,-y+1
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-y-3/4,x+1/2,-z-1/4
-x,y+1/4,z+1/4
-y-3/4,-x+1/4,z
x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
-z,-x+1/2,-y+1/2
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z-3/4,x+1/4,-y
-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
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y-1/4,-z,x-1/4
z,y,x
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z,-y+1/4,-x-3/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 Si+4 -0.0544 0.03568 0.1249 0.58 0.0
Nd4 Nd+3 0.5 0.5 0.5 0.08 0.0
O1 O-2 0 0.1073 -0.1073 1 0.0
O6 O-2 0.017 0.017 0.415 0.16 0.0
O3 O-2 0.0754 0.0754 -0.0338 1 0.0
O4 O-2 0.0687 0.0687 0.3195 1 0.0
Nd1 Nd+3 0.0658 0.0658 0.0658 0.115 0.0
O5 O-2 0.093 0.093 0.093 0.2 0.0
O7 O-2 0.231 0.449 0.167 0.18 0.0
Nd3 Nd+3 0.1706 0.1706 0.1706 0.12 0.0
Al1 Al+3 -0.0544 0.03568 0.1249 0.42 0.0
Na4 Na+1 0.5 0.5 0.5 0.18 0.0
O9 O-2 0.125 0.412 0.125 0.14 0.0
O10 O-2 0.125 0.125 0.125 0.1 0.0
Na1 Na+1 0.0658 0.0658 0.0658 0.265 0.0
Nd2 Nd+3 0.2382 0.2382 0.2382 0.35 0.0
O8 O-2 0.307 0.307 0.235 0.2 0.0
Na3 Na+1 0.1706 0.1706 0.1706 0.27 0.0
O2 O-2 -0.0035 -0.0035 0.1428 1 0.0
