#------------------------------------------------------------------------------
#$Date: 2023-05-10 19:44:19 +0200 (Wed 10 de May de 2023) $
#$Revision: 283658 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/81/9008104.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9008104
loop_
_publ_author_name
'Bedlivy, D.'
'Preisinger, A.'
_publ_section_title
;
 Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              131
_journal_page_last               144
_journal_volume                  121
_journal_year                    1965
_chemical_formula_structural     Na2Te(H2O)5
_chemical_formula_sum            'H10 Na2 O5 Te'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.735
_cell_length_b                   13.469
_cell_length_c                   9.219
_cell_volume                     836.290
_database_code_amcsd             0010617
_exptl_crystal_density_diffrn    2.094
_cod_original_formula_sum        'Na2 Te (O5 H10)'
_cod_database_code               9008104
_amcsd_formula_title             Na2Te(H2O)5
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
_atom_site_attached_hydrogens
Na1 0.00000 0.00000 0.00000 Na 0
Na2 0.50000 0.05000 0.75000 Na 0
Te 0.00000 0.31000 0.75000 Te 0
Wat1 0.00000 0.06000 0.25000 O 2
Wat2 0.26000 0.11000 0.58000 O 2
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:51:10+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010617
