#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000390.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_9000390
loop_
_publ_author_name
'Rossi, G.'
'Tazzoli, V.'
'Ungaretti, L.'
_publ_section_title
;
 The crystal structure of ussingite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              335
_journal_page_last               340
_journal_volume                  59
_journal_year                    1974
_chemical_compound_source        'Lovozero alkali massif, Russia'
_chemical_formula_sum            'Al H Na2 O9 Si3'
_chemical_name_mineral           Ussingite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.75
_cell_angle_beta                 99.75
_cell_angle_gamma                122.48
_cell_length_a                   7.256
_cell_length_b                   7.686
_cell_length_c                   8.683
_cell_formula_units_Z            2
_cell_volume                     399.436
_database_code_amcsd             0000399
_exptl_crystal_density_diffrn    2.513
_cod_original_formula_sum        'Al Si3 Na2 H O9'
_cod_database_code               9000390
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
Al 0.24220 0.04570 0.85510
Si1 0.24630 0.19350 0.36260
Si2 0.32030 0.41470 0.69240
Si3 0.70140 0.10410 0.81290
Na1 0.17590 0.39240 0.05550
Na2 0.82140 0.23420 0.44210
H 0.97900 0.40500 0.76500
O1 0.00210 0.13580 0.27920
O2 0.14190 0.47490 0.65150
O3 0.27670 -0.00210 0.34730
O4 0.30100 0.29700 0.84890
O5 0.44420 0.02240 0.79550
O6 0.42310 0.38180 0.27680
O7 0.79800 0.03440 0.96250
O8 0.85800 0.35570 0.82100
O9 0.29730 0.26040 0.54850
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000399
