#------------------------------------------------------------------------------
#$Date: 2023-05-18 15:51:33 +0300 (Thu, 18 May 2023) $
#$Revision: 283866 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/23/9012312.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_9012312
loop_
_publ_author_name
'Hanic, F.'
_publ_section_title
;
 The crystal structure of meta-zeunerite Cu(UO2)2(AsO4)2*8H2O
;
_journal_name_full               'Czechoslovak Journal of Physics B'
_journal_page_first              169
_journal_page_last               181
_journal_paper_doi               10.1007/BF01557259
_journal_volume                  10
_journal_year                    1960
_chemical_compound_source        'Rotava, Ore Mountains, Czech Republic'
_chemical_formula_sum            'As Cu0.5 H16 O10 U'
_chemical_name_mineral           Metazeunerite
_symmetry_space_group_name_H-M   'P 42/n m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.10
_cell_length_b                   7.10
_cell_length_c                   17.70
_cell_volume                     892.257
_database_code_amcsd             0012422
_exptl_crystal_density_diffrn    3.877
_cod_original_formula_sum        'Cu.5 U As O10 H16'
_cod_database_code               9012312
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,1/2+z
1/2+y,1/2+x,-z
1/2+y,-x,-z
1/2-y,x,1/2+z
x,1/2-y,z
-x,1/2+y,1/2-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,z
y,x,1/2+z
-y,-x,-z
-y,1/2+x,-z
y,1/2-x,1/2+z
1/2-x,y,z
1/2+x,-y,1/2-z
-x,-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_type_symbol
_atom_site_attached_hydrogens
Cu 0.25000 0.25000 0.30800 0.50000 Cu 0
U 0.25000 0.25000 0.05450 1.00000 U 0
As1 0.75000 0.25000 0.00000 1.00000 As 0
As2 0.25000 0.75000 0.00000 1.00000 As 0
O1 0.25000 0.25000 0.16400 1.00000 O 0
O2 0.25000 0.25000 0.45400 1.00000 O 0
O3 0.25000 0.55600 0.56300 1.00000 O 0
O4 0.25000 0.55600 0.06300 1.00000 O 0
Wat5 0.51700 0.11100 0.30900 0.50000 O 2
Wat6 0.51700 0.11100 0.80900 0.50000 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 9581 2023-05-17 12:35:41Z saulius
;
2023-05-18T11:41:56+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 0012422
