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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/1/53/07/1530753.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_1530753
loop_
_publ_author_name
'Shepelev, Yu.F.'
'Kozlova, N.I.'
'Smolin, Yu.I.'
'Butikova, I.K.'
_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            'Al5.04 H12.96 Na2.5 Nd2.19 O30.48 Si6.96'
_chemical_name_systematic        'Na2.5 Nd2.19 (Al5.04 Si6.96 O24) (H2 O)6.48'
_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                   24.90599
_cell_length_b                   24.90599
_cell_length_c                   24.90599
_cell_volume                     15449.393
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Shepelev_KRISAJ_1979_405.cif
_cod_data_source_block           H12.96Al5.04Na2.5Nd2.19O30.48Si6.96
_cod_original_cell_volume        15449.39
_cod_original_formula_sum        'H12.96 Al5.04 Na2.5 Nd2.19 O30.48 Si6.96'
_cod_database_code               1530753
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z,x,y
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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
Nd3 Nd+1 0.2378 0.2378 0.2378 1 0.0
Nd5 Nd+1 0.168 0.168 0.168 0.025 0.0
O8 O-2 0.11 0.473 0.11 0.14 0.0
O1 O-2 0 0.1072 -0.1072 1 0.0
O7 O-2 0.096 0.471 0.234 0.13 0.0
Nd4 Nd+1 0.195 0.411 0.195 0.01 0.0
O9 O-2 0.165 0.165 0.142 0.21 0.0
O2 O-2 -0.0028 -0.0028 0.1444 1 0.0
O4 O-2 0.0715 0.0715 0.3206 1 0.0
Si1 Si+4 -0.0536 0.0358 0.1246 0.58 0.0
Nd1 Nd+1 0 0 0 0.01 0.0
Al1 Al+3 -0.0536 0.0358 0.1246 0.42 0.0
Na5 Na+1 0.168 0.168 0.168 0.36 0.0
Na1 Na+1 0 0 0 0.21 0.0
O5 O-2 0.117 0.424 0.117 0.21 0.0
Na4 Na+1 0.195 0.411 0.195 0.115 0.0
Nd2 Nd+1 0.0675 0.0675 0.0675 0.035 0.0
O6 O-2 0.508 0.008 0.115 0.26 0.0
O3 O-2 0.0729 0.0729 -0.0322 1 0.0
Na2 Na+1 0.0675 0.0675 0.0675 0.44 0.0
