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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/43/9004388.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_9004388
loop_
_publ_author_name
'Burns, P. C.'
'Hawthorne, F. C.'
_publ_section_title
;Rietveld refinement of the crystal structure of olivenite: A twinned
 monoclinic structure Note: The sign of Cu1-z coordinate changed.
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              885
_journal_page_last               888
_journal_volume                  33
_journal_year                    1995
_chemical_formula_sum            'As Cu2 O5'
_chemical_name_mineral           Olivenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xn'
_symmetry_space_group_name_H-M   'P 21/n 1 1'
_cell_angle_alpha                90.088
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5894
_cell_length_b                   8.2073
_cell_length_c                   5.9285
_cell_formula_units_Z            4
_cell_volume                     417.934
_database_code_amcsd             0005462
_exptl_crystal_density_diffrn    4.482
_cod_database_code               9004388
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As 0.25030 0.26270 0.00520 0.00887
Cu1 0.88070 0.36240 0.00230 0.01748
Cu2 -0.00160 -0.00070 0.25010 0.01216
O1 0.10690 0.40220 0.05510 0.00469
O2 0.41710 0.36670 -0.00760 0.00469
O3 0.89980 0.12130 0.00290 0.00469
O4 0.21350 0.14990 0.22690 0.00469
O5 0.25770 0.15280 0.77100 0.00469
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005462
