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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/40/8104074.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8104074
loop_
_publ_author_name
'Olbertz, A.'
'Stachel, D.'
'Fuess, H.'
'Svoboda, I.'
_publ_section_title
;
 Crystal structure of cobalt ultraphosphate, Co P4 O11
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              374
_journal_page_last               375
_journal_volume                  208
_journal_year                    1993
_chemical_formula_sum            'Co O11 P4'
_chemical_name_systematic        'Co (P4 O11)'
_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                 110.07
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.32
_cell_length_b                   22.263
_cell_length_c                   7.408
_cell_volume                     824.117
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Olbertz_ZEKRDZ_1993_1586.cif
_cod_data_source_block           Co1O11P4
_cod_original_cell_volume        824.1166
_cod_original_formula_sum        'Co1 O11 P4'
_cod_database_code               8104074
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
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
O5 O-2 0.9288 0.57597 0.3588 1 0.0
Co1 Co+2 0.00388 0.38594 0.36999 1 0.0
O1 O-2 0.2226 0.45524 0.3147 1 0.0
O7 O-2 0.085 0.6552 -0.0941 1 0.0
O8 O-2 0.4626 0.7331 -0.0006 1 0.0
O4 O-2 0.4464 0.53725 0.2022 1 0.0
P2 P+5 0.6942 0.57204 0.18699 1 0.0
O9 O-2 0.2565 0.6927 0.2373 1 0.0
P4 P+5 0.398 0.80408 -0.03149 1 0.0
P3 P+5 0.3231 0.67828 0.05457 1 0.0
O3 O-2 0.7687 0.54505 0.0188 1 0.0
P1 P+5 0.4031 0.46517 0.20806 1 0.0
O10 O-2 0.1921 0.81717 0.0529 1 0.0
O11 O-2 0.653 0.8361 0.0188 1 0.0
O6 O-2 0.5737 0.63583 0.1159 1 0.0
O2 O-2 0.6621 0.43518 0.25 1 0.0
