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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011194.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_9011194
loop_
_publ_author_name
'Loopstra, B. O.'
'Brandenburg, N. P.'
_publ_section_title
;
 Uranyl selenite and uranyl tellurite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1335
_journal_page_last               1337
_journal_paper_doi               10.1107/S056774087800549X
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O5 Te U'
_chemical_name_mineral           Schmitterite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.363
_cell_length_b                   10.161
_cell_length_c                   7.862
_cell_formula_units_Z            4
_cell_volume                     428.427
_database_code_amcsd             0009637
_exptl_crystal_density_diffrn    6.909
_cod_original_formula_sum        'U Te O5'
_cod_database_code               9011194
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,1/2+y,z
x,1/2-y,-z
x,y,1/2-z
-x,-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_U_iso_or_equiv
U 0.96980 0.01490 0.25000 0.00899
Te 0.63400 0.25000 0.50000 0.00849
O1 0.73200 0.21400 0.25000 0.03293
O2 0.85700 0.10500 0.52700 0.01900
O3 0.24400 0.11500 0.25000 0.02786
O4 0.69100 0.91300 0.25000 0.04179
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009637
