#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007917.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_9007917
loop_
_publ_author_name
'Bali, B. E.'
'Bolte, M.'
_publ_section_title
;
 Rerefinement of cobalt diphosphate against new intensity data
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i32
_journal_page_last               i33
_journal_paper_doi               10.1107/S1600536802005342
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     Co2P2O7
_chemical_formula_sum            'Co2 O7 P2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.600
_cell_angle_gamma                90
_cell_length_a                   7.0022
_cell_length_b                   8.3634
_cell_length_c                   9.0114
_cell_formula_units_Z            4
_cell_volume                     483.590
_database_code_amcsd             0010375
_exptl_crystal_density_diffrn    4.008
_cod_original_formula_sum        'Co2 P2 O7'
_cod_database_code               9007917
_amcsd_formula_title             Co2P2O7
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Co1 0.23247 0.92882 0.10884 0.00799
Co2 0.69933 0.44157 0.82475 0.00860
P1 0.94042 0.76797 0.75824 0.00746
P2 0.53170 0.77429 0.46771 0.00713
O1 0.74908 0.82989 0.60005 0.01100
O2 0.37848 0.76488 0.54938 0.00960
O3 0.11902 0.75915 0.70267 0.00930
O4 0.97662 0.90145 0.88165 0.00950
O5 0.88706 0.61064 0.81112 0.01260
O6 0.48086 0.90934 0.34431 0.00920
O7 0.55344 0.61280 0.39749 0.00970
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010375
