#------------------------------------------------------------------------------
#$Date: 2023-05-18 12:25:40 +0300 (Thu, 18 May 2023) $
#$Revision: 283857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011847.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_9011847
loop_
_publ_author_name
'Mokeeva, V. I.'
_publ_section_title
;
 The structure of sklodowskite
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              217
_journal_page_last               218
_journal_volume                  9
_journal_year                    1964
_chemical_formula_sum            'H12 Mg O18 Si2 U2'
_chemical_name_mineral           Sklodowskite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.33
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.89
_cell_length_b                   7.01
_cell_length_c                   6.60
_cell_volume                     776.669
_database_code_amcsd             0015548
_exptl_crystal_density_diffrn    3.663
_cod_original_formula_sum        'Mg U2 Si2 O18 H12'
_cod_database_code               9011847
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-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_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Mg 0.00000 0.00000 0.50000 0.03166 Mg 0
U 0.25700 0.00000 0.12000 0.03166 U 0
Si 0.21800 0.00000 0.57000 0.03166 Si 0
OSi1 0.28000 0.00000 0.78000 0.03166 O 0
OSi2 0.12800 0.00000 0.62700 0.03166 O 0
OSi3 0.23500 0.18700 0.44000 0.03166 O 0
OU1 0.15500 0.00000 0.03500 0.03166 O 0
OU2 0.35500 0.00000 0.18500 0.03166 O 0
Wat 0.02000 0.21000 0.30000 0.03166 O 2
WatX 0.08000 0.50000 0.82000 0.03166 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 9581 2023-05-17 12:35:41Z saulius
;
2023-05-18T11:41:44+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 0015548
