#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/64/9016468.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_9016468
loop_
_publ_author_name
'Heritsch, H.'
_publ_section_title
;
 Die Struktur des Libethenites Cu2 (O H) (P O4)
 _cod_database_code 1010980
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              1
_journal_page_last               12
_journal_volume                  102
_journal_year                    1940
_chemical_formula_sum            'Cu2 O5 P'
_chemical_name_mineral           Libethenite
_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_length_a                   8.43
_cell_length_b                   8.08
_cell_length_c                   5.9
_cell_formula_units_Z            4
_cell_volume                     401.875
_database_code_amcsd             0017896
_exptl_crystal_density_diffrn    3.935
_cod_duplicate_entry             1010980
_cod_original_formula_sum        'O5 P Cu2'
_cod_database_code               9016468
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 0.11600 -0.13900 0.00000
O2 0.07800 -0.15800 0.50000
O3 0.12500 0.38000 0.00000
O4 0.23600 0.13900 0.25000
P1 0.24400 0.25200 0.00000
Cu1 0.00000 0.00000 0.25000
Cu2 -0.12200 0.36700 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017896
