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#$Date: 2025-08-18 17:14:33 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301778 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/54/1535485.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1535485
loop_
_publ_author_name
'Moodenbaugh, A.R.'
'Hurst, J.J.'
'Hartt, J.E.'
'Youngblood, R.W.'
'Cox, D.E.'
'Frazer, B.C.'
_publ_section_title
;
 Neutron diffraction study of oolycrystalline H2 S O4 and H2 Se O4
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              3501
_journal_page_last               3505
_journal_volume                  28
_journal_year                    1983
_chemical_formula_sum            'H2 O4 Se'
_chemical_name_systematic        'H2 Se O4'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5416
_cell_length_b                   8.1807
_cell_length_c                   4.6233
_cell_volume                     323.059
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Moodenbaugh_PRBMDO_1983_684.cif
_cod_data_source_block           H2O4Se1
_cod_original_formula_sum        'H2 O4 Se1'
_cod_database_code               1535485
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Se1 Se+6 0.368 0.208 0.575 1 0.0
H1 H+1 0.465 0.478 0.542 1 0.0
O4 O-2 0.415 0.396 0.416 1 0.0
O3 O-2 0.236 0.271 0.818 1 0.0
O2 O-2 0.29 0.102 0.313 1 0.0
H2 H+1 0.239 0.208 0.01 1 0.0
O1 O-2 0.514 0.13 0.723 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 1089
