#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011484.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_9011484
loop_
_publ_author_name
'Miller, S. A.'
'Taylor, J. C.'
_publ_section_title
;
 The crystal structure of saleeite, Mg[UO2PO4]2*10H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              247
_journal_page_last               253
_journal_volume                  177
_journal_year                    1986
_chemical_compound_source        'Ranger I Mine, Northern Territory, Australia'
_chemical_formula_sum            'H20 Mg O22 P2 U2'
_chemical_name_mineral           Saleeite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 135.17
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.951
_cell_length_b                   19.947
_cell_length_c                   9.896
_cell_volume                     967.336
_database_code_amcsd             0010963
_exptl_crystal_density_diffrn    3.208
_cod_original_formula_sum        'U2 Mg P2 O22 H20'
_cod_database_code               9011484
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-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
U -0.07220 0.79160 -0.02120 U 0
Mg 0.50000 0.00000 0.50000 Mg 0
P 0.42100 0.75200 0.47400 P 0
O1 -0.08100 0.87900 -0.02600 O 0
O2 -0.06400 0.70300 -0.01800 O 0
O3 0.21200 0.79800 0.30900 O 0
O4 -0.45600 0.79300 -0.07900 O 0
O5 -0.36800 0.79700 -0.35200 O 0
O6 0.29400 0.79400 0.02400 O 0
Wat7 0.25900 0.08100 0.42800 O 2
Wat8 0.26700 0.58600 0.24000 O 2
Wat9 0.20300 0.57000 -0.07400 O 2
Wat10 -0.42500 0.57400 -0.36100 O 2
Wat11 0.32100 0.99700 0.22400 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
;
2023-05-10T18:53:13+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 0010963
