#------------------------------------------------------------------------------
#$Date: 2023-05-18 10:14:51 +0300 (Thu, 18 May 2023) $
#$Revision: 283850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015986.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_9015986
loop_
_publ_author_name
'Ross, M.'
'Evans, H. T.'
_publ_section_title
;
 Studies of the torbernite minerals (I): The crystal structure of abernathyite
 and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1578
_journal_page_last               1602
_journal_volume                  49
_journal_year                    1964
_chemical_compound_source
'Fuemrol No. 2 mine, Temple Mountain, Emery County, Utah, USA'
_chemical_formula_sum            'As H6 K O9 U'
_chemical_name_mineral           Abernathyite
_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                   7.176
_cell_length_b                   7.176
_cell_length_c                   18.126
_cell_volume                     933.398
_database_code_amcsd             0000130
_exptl_crystal_density_diffrn    3.573
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        '(K U) As O9 H6'
_cod_database_code               9015986
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_occupancy
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
K 0.16500 0.98760 0.31540 0.25000 0.04699 K 0
U 0.25000 0.25000 0.05140 1.00000 0.02406 U 0
As 0.75000 0.25000 0.00000 1.00000 0.02330 As 0
Oa 0.25000 0.25000 0.15150 1.00000 0.03787 O 0
Ob 0.25000 0.25000 0.95750 1.00000 0.03141 O 0
Oc 0.69630 0.07290 0.44330 1.00000 0.03483 O 0
Watd 0.16500 0.98760 0.31540 0.75000 0.04699 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 9562 2023-05-06 06:02:25Z saulius
;
2023-05-14T12:29:59+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
2 'Saulius Gra\<zulis' 2023-05-14T12:32:37+03:00
'Updating atom types and hydrogen counts.'
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000130
2 Wikidata Q319661
3 Wikipedia Abernathyite
