#------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008063.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_9008063
loop_
_publ_author_name
'Kokkoros, P.'
_publ_section_title
;
 Uber die struktur des durangit NaAlF[AsO₄]
 Locality: Durango, Mexico
;
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift für Kristallographie - Crystalline Materials
;
_journal_page_first              38
_journal_page_last               49
_journal_paper_doi               10.1524/zkri.1938.99.1.38
_journal_volume                  99
_journal_year                    1938
_chemical_formula_sum            'Al As F Na O4'
_chemical_name_mineral           Durangite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.22
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.53
_cell_length_b                   8.46
_cell_length_c                   7.00
_cell_volume                     349.845
_exptl_crystal_density_diffrn    3.947
_cod_original_formula_sum        'Na Al As O4 F'
_cod_database_code               9008063
loop_
_symmetry_equiv_pos_as_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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
_atom_site_attached_hydrogens
Na 0.00000 0.66700 0.25000 Na 0
Al 0.00000 0.00000 0.00000 Al 0
As 0.00000 0.31700 0.25000 As 0
OA 0.20800 0.43300 0.41700 O 0
OB 0.09200 0.21100 0.09700 O 0
F 0.00000 0.94400 0.25000 F 0
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 9581 2023-05-17 12:35:41Z saulius
;
2023-05-23T09:18:51+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
_cod_duplicate_entry 1011040
