#------------------------------------------------------------------------------
#$Date: 2023-05-18 10:14:51 +0300 (Thu, 18 May 2023) $
#$Revision: 283850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015062.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_9015062
loop_
_publ_author_name
'Meisser, N.'
'Brugger, J.'
'Krivovichev, S.'
'Armbruster, T.'
'Favreau, G.'
_publ_section_title
;
 Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O,
 from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              717
_journal_page_last               726
_journal_paper_doi               10.1127/0935-1221/2012/0024-2172
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source        'Aghbar, Anti-Atlas, Morocco'
_chemical_formula_sum            'Al2 As2 H18 Mg O18'
_chemical_name_mineral           Maghrebite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.701
_cell_angle_beta                 110.295
_cell_angle_gamma                102.021
_cell_formula_units_Z            1
_cell_length_a                   5.4363
_cell_length_b                   10.500
_cell_length_c                   7.075
_cell_volume                     360.987
_database_code_amcsd             0019348
_exptl_crystal_density_diffrn    2.458
_cod_original_formula_sum        'Mg Al2 As2 O18 H18'
_cod_database_code               9015062
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Mg 0.50000 0.50000 0.00000 0.01330 Mg 0
Al1 0.00000 0.00000 0.50000 0.01080 Al 0
Al2 0.00000 0.00000 0.00000 0.01130 Al 0
As -0.51690 -0.16695 -0.92788 0.01300 As 0
O-h1 -0.12790 0.00750 -0.28470 0.01480 O 0
O2 -0.31190 -0.14970 -1.06330 0.01460 O 0
O3 -0.37020 -0.06660 -0.68850 0.01580 O 0
O4 -0.80920 -0.12680 -1.06030 0.01620 O 0
O5 -0.60330 -0.32750 -0.91180 0.01930 O 0
Ow6 -0.02220 0.18510 -0.53070 0.01980 O 0
Ow7 -0.59810 -0.30760 -0.50510 0.02830 O 0
Ow8 -0.16900 -0.38760 -0.04350 0.03340 O 0
Ow9 -0.25890 -0.48780 -0.68700 0.03190 O 0
H1 -0.11000 0.16000 -0.68100 0.05000 H 0
H2 0.02500 -0.38400 0.00400 0.13000 H 0
H3 -0.16600 0.21000 -0.49500 0.12000 H 0
H4 -0.45300 -0.22800 -0.41600 0.05000 H 0
H5 -0.30500 -0.53600 -0.58900 0.07000 H 0
H6 -0.21000 -0.40000 -0.59600 0.04000 H 0
H7 -0.58000 -0.31600 -0.63900 0.04000 H 0
H8 -0.23700 -0.30900 -0.05000 0.08000 H 0
H9 -0.32000 0.00000 -0.36100 0.12000 H 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
;
2023-05-18T08:45:35+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 0019348
