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#$Date: 2016-01-09 14:08:28 +0200 (Sat, 09 Jan 2016) $
#$Revision: 173954 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/74/2107405.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107405
loop_
_publ_author_name
'Krishnamachari, N.'
'Calvo, C.'
_publ_section_title
;
 The crystal structure of cobalt diphosphate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2883
_journal_page_last               2885
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Co2 O7 P2'
_chemical_name_systematic        'Co2 (P2 O7)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc (1/2*x,y,-1/2*x+z)'
_symmetry_space_group_name_H-M   'P 1 21/c 1 (2*a+c,b,c)'
_cell_angle_alpha                90
_cell_angle_beta                 104.6
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.248
_cell_length_b                   8.345
_cell_length_c                   9.004
_cell_volume                     963.290
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Krishnamachari_ACBCAR_1972_618.cif
_cod_data_source_block           Co2O7P2
_cod_original_cell_volume        963.2899
_cod_database_code               2107405
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
x+1/2,y,z+1/2
-x+1/2,y+1/2,-z+1
-x+1/2,-y,-z+1/2
x+1/2,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.3763 0.1717 -0.0236 1 0.0
Co1 Co+2 0.3665 0.9287 0.2571 1 0.0
O7 O-2 0.4745 0.3861 -0.129 1 0.0
O3 O-2 0.1902 0.2411 -0.1065 1 0.0
O6 O-2 0.5089 0.0916 -0.1458 1 0.0
O4 O-2 0.2625 0.0986 0.1439 1 0.0
O5 O-2 0.3065 0.39 0.1186 1 0.0
O2 O-2 0.5607 0.2353 0.1095 1 0.0
P2 P+5 0.4847 0.2257 -0.0479 1 0.0
Co2 Co+2 0.3999 0.558 0.2253 1 0.0
P1 P+5 0.2798 0.2324 0.0386 1 0.0
