#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/77/9007764.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_9007764
loop_
_publ_author_name
'Effenberger, H.'
_publ_section_title
;
 Structural refinement of low-temperature copper(II) pyrophosphate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              691
_journal_page_last               692
_journal_paper_doi               10.1107/S0108270189006463
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Cu2P2O7
_chemical_formula_sum            'Cu2 O7 P2'
_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                 109.62
_cell_angle_gamma                90
_cell_length_a                   6.895
_cell_length_b                   8.113
_cell_length_c                   9.164
_cell_formula_units_Z            4
_cell_volume                     482.863
_database_code_amcsd             0010124
_exptl_crystal_density_diffrn    4.141
_cod_original_formula_sum        'Cu2 P2 O7'
_cod_database_code               9007764
_amcsd_formula_title             Cu2P2O7
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu -0.01814 0.31288 0.50706 0.01030
P 0.19754 0.00750 0.20566 0.00750
O1 0.00000 0.04660 0.25000 0.02600
O2 0.37570 0.00020 0.36140 0.00930
O3c 0.22080 0.15590 0.11280 0.01120
O3t 0.17850 -0.15080 0.11790 0.01620
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010124
