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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014310.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_9014310
loop_
_publ_author_name
'Boudjada, A.'
_publ_section_title
;
 Structure cristalline de l'orthophosphate monoacide de cuivre
 monohydrate Cu (H P O4) (H2 O)
 _cod_database_code 1008247
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1083
_journal_page_last               1090
_journal_paper_doi               10.1016/0025-5408(80)90070-7
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Cu O5 P'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.16
_cell_angle_gamma                90
_cell_length_a                   8.606
_cell_length_b                   6.346
_cell_length_c                   6.811
_cell_formula_units_Z            4
_cell_volume                     370.994
_database_code_amcsd             0016169
_exptl_crystal_density_diffrn    3.124
_cod_duplicate_entry             1008247
_cod_original_formula_sum        'Cu P O5'
_cod_database_code               9014310
_amcsd_formula_title             'Cu H3 O5 P'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 0.00000 0.00000 0.00000
Cu2 0.00000 0.00000 0.50000
P1 0.23490 0.29890 0.22500
O1 0.13380 0.10270 0.22300
O2 0.34090 0.29720 0.05550
O3 0.32230 0.32110 0.42600
O4 0.12270 0.49600 0.19180
O5 0.41250 0.73380 0.32340
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016169
