#------------------------------------------------------------------------------
#$Date: 2023-05-10 19:44:19 +0200 (Wed 10 de May de 2023) $
#$Revision: 283658 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/63/9016325.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_9016325
loop_
_publ_author_name
'Morosin, B.'
_publ_section_title
;
 Hydrogen uranyl phosphate tetrahydrate, a hydrogen ion solid electrolyte
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3732
_journal_page_last               3734
_journal_paper_doi               10.1107/S0567740878011991
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 O10 P U'
_chemical_name_mineral           Chernikovite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.995
_cell_length_b                   6.995
_cell_length_c                   17.491
_cell_volume                     855.835
_database_code_amcsd             0019269
_exptl_crystal_density_diffrn    3.392
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'U P O10 H8'
_cod_database_code               9016325
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,1/2+z
1/2+y,1/2+x,1/2-z
1/2+y,-x,-z
1/2-y,x,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
y,x,1/2+z
-y,-x,1/2-z
-y,1/2+x,-z
y,1/2-x,z
1/2-x,y,1/2+z
1/2+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_type_symbol
_atom_site_attached_hydrogens
U 0.25000 0.25000 0.04935 U 0
P 0.75000 0.25000 0.00000 P 0
O1 0.25000 0.25000 0.15140 O 0
O2 0.25000 0.25000 -0.05070 O 0
O3 0.57800 0.28600 0.05090 O 0
Wat4 0.83700 0.02000 0.18910 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
;
2023-05-10T18:56:56+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 0019269
