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#$Date: 2023-05-16 10:05:35 +0200 (Tue 16 de May de 2023) $
#$Revision: 283803 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106871.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106871
loop_
_publ_author_name
'Daniel, F.'
'Moret, J.'
'Maurin, M.'
'Philippot, E.'
_publ_section_title
;
 Etude Cristallographique du Tellurite de Sodium a Deux Molecules d'Eau,
 Na2 Te2 O5 (H2 O)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1278
_journal_page_last               1281
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'H8 Na4 O14 Te4'
_chemical_name_systematic        'Na4 Te4 O10 (H2 O)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.51
_cell_angle_beta                 93.14
_cell_angle_gamma                92.23
_cell_formula_units_Z            1
_cell_length_a                   11.632
_cell_length_b                   5.613
_cell_length_c                   6.193
_cell_volume                     393.616
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Daniel_ACBCAR_1981_1401.cif
_cod_data_source_block           H4Na2O7Te2
_cod_depositor_comments
;

2023-05-16
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'H4 Na2 O7 Te2'
_cod_original_formula_units_Z            2
_cod_database_code               2106871
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
H3 H+1 0.322 0.07 0.36 1 0.0
Na2 Na+1 0.5668 0.1053 0.2817 1 0.0
Na1 Na+1 0.0508 0.603 0.2751 1 0.0
O1 O-2 0.0542 0.2355 0.0038 1 0.0
O2 O-2 0.5031 0.7277 0.0545 1 0.0
O6 O-2 0.3856 0.1325 0.4221 1 0.0
O3 O-2 0.7178 0.8782 0.1068 1 0.0
Te2 Te+4 0.36348 0.45459 0.00897 1 0.0
O4 O-2 0.1791 0.9144 0.2139 1 0.0
H1 H+1 0.828 0.6 0.44 1 0.0
Te1 Te+4 0.86059 0.04015 0.066 1 0.0
O5 O-2 0.6768 0.4623 0.2551 1 0.0
H2 H+1 0.129 0.23 0.42 1 0.0
H4 H+1 0.63 0.77 0.49 1 0.0
O7 O-2 0.8828 0.6475 0.484 1 0.0
