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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/61/9016105.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_9016105
loop_
_publ_author_name
'Brese, N. E.'
'O'Keeffe M'
'Ramakrishna, B. L.'
'von Dreele, R. B.'
_publ_section_title
;
 Low-temperature structures of CuO and AgO and their
 relationships to those of MgO and PdO
 Note: T = 11 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              184
_journal_page_last               190
_journal_paper_doi               10.1016/0022-4596(90)90310-T
_journal_volume                  89
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.567
_cell_angle_gamma                90
_cell_length_a                   4.6833
_cell_length_b                   3.4208
_cell_length_c                   5.1294
_cell_formula_units_Z            4
_cell_volume                     81.033
_database_code_amcsd             0018821
_exptl_crystal_density_diffrn    6.520
_cod_database_code               9016105
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu 0.00170 0.00420 0.00270 0.00110 0.00120 0.00020
O 0.00360 0.00560 0.00170 0.00000 0.00160 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.25000 0.25000 0.00000 0.00270
O 0.00000 0.41790 0.25000 0.00340
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018821
