#------------------------------------------------------------------------------
#$Date: 2023-05-10 19:44:19 +0200 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/97/9009787.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_9009787
loop_
_publ_author_name
'Schrewelius, N.'
_publ_section_title
;Rontgenuntersuchung der verbindungen NaSb(OH)6, NaSbF6, NaSbO3 und
 gleichartiger stoffe
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              241
_journal_page_last               254
_journal_volume                  238
_journal_year                    1938
_chemical_formula_sum            'H6 Na O6 Sb'
_chemical_name_mineral           Mopungite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  'P 4n -1n'
_symmetry_space_group_name_H-M   'P 42/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.01
_cell_length_b                   8.01
_cell_length_c                   7.88
_cell_volume                     505.582
_database_code_amcsd             0015748
_exptl_crystal_density_diffrn    3.242
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        'Na Sb (O6 H6)'
_cod_database_code               9009787
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2+y,1/2-z
-x,-y,z
-y,x,-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
_atom_site_type_symbol
Na 0.25000 0.25000 0.75000 0 Na
Sb 0.25000 0.25000 0.25000 0 Sb
O-H1 0.28000 0.02500 0.34000 1 O
O-H2 0.02500 0.28000 0.34000 1 O
O-H3 0.17500 0.17500 0.02500 1 O
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
;
2023-05-10T18:52:09+03:00
;Derived atom types
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 0015748
