#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/11/9011195.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_9011195
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_formula_structural     UO2SeO3
_chemical_formula_sum            'O5 Se U'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.45
_cell_angle_gamma                90
_cell_length_a                   5.408
_cell_length_b                   9.278
_cell_length_c                   4.2545
_cell_formula_units_Z            2
_cell_volume                     213.084
_database_code_amcsd             0009638
_exptl_crystal_density_diffrn    6.187
_cod_original_formula_sum        'U Se O5'
_cod_database_code               9011195
_amcsd_formula_title             UO2SeO3
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-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 0.00000 0.00000 0.00000 0.01773
Se 0.69200 0.25000 0.40000 0.01140
O1 0.76900 0.25000 0.02200 0.00507
O2 0.88600 0.10700 0.50100 0.02913
O3 0.28500 0.08300 0.02500 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009638
