#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015082.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_9015082
loop_
_publ_author_name
'Heritsch, H.'
_publ_section_title
;
 Die Struktur des Olivenites Cu₂OHAsO₄
;
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift für Kristallographie - Crystalline Materials
;
_journal_page_first              466
_journal_page_last               479
_journal_paper_doi               10.1524/zkri.1938.99.1.466
_journal_volume                  99
_journal_year                    1938
_chemical_formula_sum            'As Cu2 O5'
_chemical_name_mineral           Olivenite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.62
_cell_length_b                   8.2
_cell_length_c                   5.94
_cell_volume                     419.863
_database_code_amcsd             0018015
_exptl_crystal_density_diffrn    4.461
_cod_duplicate_entry             1011121
_cod_original_formula_sum        'O5 As Cu2'
_cod_database_code               9015082
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 0.09700 -0.11900 0.00000
O2 0.10500 -0.14700 0.50000
O3 0.11400 0.37500 0.00000
O4 0.23600 0.13900 0.25000
As1 0.24400 0.26400 0.00000
Cu1 0.00000 0.00000 0.25000
Cu2 -0.12200 0.36100 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018015
