#------------------------------------------------------------------------------
#$Date: 2023-05-10 19:44:19 +0200 (Wed 10 de May de 2023) $
#$Revision: 283658 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/18/9011887.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_9011887
loop_
_publ_author_name
'Mokeeva, V. I.'
_publ_section_title
;
 The crystal structure of sklodowskite
;
_journal_name_full               'Soviet Physics Doklady'
_journal_page_first              27
_journal_page_last               29
_journal_volume                  4
_journal_year                    1959
_chemical_formula_sum            'H8 Mg O16 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
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.74
_cell_length_b                   7.01
_cell_length_c                   6.59
_cell_volume                     769.083
_database_code_amcsd             0015594
_exptl_crystal_density_diffrn    3.516
_cod_original_formula_sum        'Mg U2 Si2 O16 H8'
_cod_database_code               9011887
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_type_symbol
_atom_site_attached_hydrogens
Mg 0.00000 0.00000 0.50000 Mg 0
U 0.25900 0.00000 0.11500 U 0
Si 0.21900 0.00000 0.58800 Si 0
OSi1 0.27300 0.00000 0.80000 O 0
OSi2 0.12500 0.00000 0.62500 O 0
OSi3 0.24000 0.18700 0.44200 O 0
OU1 0.14300 0.00000 0.03800 O 0
OU2 0.37300 0.00000 0.18900 O 0
Wat 0.02700 0.20800 0.30400 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 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:53:35+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 0015594
