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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011395.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_9011395
loop_
_publ_author_name
'Yang, H.'
'Costin, G.'
'Keogh, J.'
'Lu, R.'
'Downs, R. T.'
_publ_section_title
;
 Cobaltaustinite, CaCo(AsO4)(OH)
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i53
_journal_page_last               i55
_journal_paper_doi               10.1107/S1600536807003029
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source
'Dome Rock, Mingary, South Australia, Australia'
_chemical_formula_sum            'As Ca Co0.95 Cu0.05 H O5'
_chemical_name_mineral           Cobaltaustinite
_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_length_a                   7.4919
_cell_length_b                   8.9946
_cell_length_c                   5.9158
_cell_formula_units_Z            4
_cell_volume                     398.646
_database_code_amcsd             0010473
_exptl_crystal_density_diffrn    4.252
_cod_original_formula_sum        'Ca (Co.95 Cu.05) As O5 H'
_cod_database_code               9011395
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-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_U_iso_or_equiv
Ca 0.62941 0.32886 0.52230 1.00000 0.01660
Co 0.25814 0.50516 0.25470 0.95000 0.01450
Cu 0.25814 0.50516 0.25470 0.05000 0.01450
As 0.62045 0.67900 0.48441 1.00000 0.01430
O1 0.44330 0.56130 0.50880 1.00000 0.02100
O2 0.71250 0.43640 0.91210 1.00000 0.02470
O3 0.35210 0.26950 0.76730 1.00000 0.01810
O4 0.39750 0.29450 0.24030 1.00000 0.02230
O5 0.39560 0.57400 0.99440 1.00000 0.02180
H 0.50400 0.50600 0.99000 1.00000 0.06000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010473
