#------------------------------------------------------------------------------
#$Date: 2015-07-08 16:33:54 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141113 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002266.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_4002266
loop_
_publ_author_name
'Sanz, F.'
'Parada, C.'
'Ruiz-Valero, C.'
_publ_section_title
;
 Crystal growth, crystal structure, and magnetic properties of a new
 lithium cobalt diphosphate
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              671
_journal_page_last               676
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Co5.06 Li5.88 O28 P8'
_chemical_name_systematic        'Li5.88 Co5.06 (P2 O7)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.894
_cell_angle_beta                 90.247
_cell_angle_gamma                92.782
_cell_formula_units_Z            1
_cell_length_a                   6.3009
_cell_length_b                   8.413
_cell_length_c                   9.937
_cell_volume                     500.581
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Sanz_CMATEX_2000_1057.cif
_cod_data_source_block           Co5.06Li5.88O28P8
_cod_database_code               4002266
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Co4 Co+2 0 0.5 0.5 0.122 0.0
O7 O-2 -0.0185 -0.0858 0.6315 1 0.0
P4 P+5 0.1867 0.1813 0.3106 1 0.0
O13 O-2 0.335 0.6332 0.8873 1 0.0
O10 O-2 0.0692 0.426 0.7226 1 0.0
Li2 Li+1 0.5 0.5 0.5 1 0.0
O14 O-2 0.2596 0.6493 0.6406 1 0.0
O9 O-2 0.3265 0.1321 0.6513 1 0.0
Li3 Li+1 -0.089 0.395 0.877 1 0.0
P3 P+5 0.2637 0.5407 0.7377 1 0.0
P2 P+5 0.1523 0.2057 0.0161 1 0.0
Co2 Co+2 0.6451 0.1194 -0.0588 1 0.0
O12 O-2 -0.0805 0.7983 0.8315 1 0.0
O5 O-2 0.615 -0.0811 0.7385 1 0.0
Co3 Co+2 0.3105 0.8894 0.6454 1 0.0
Li4 Li+1 0 0.5 0.5 0.878 0.0
Co1 Co+2 0.5 0.5 0 1 0.0
O4 O-2 -0.0426 0.1594 -0.0793 1 0.0
O8 O-2 0.3258 0.0793 -0.0311 1 0.0
O6 O-2 0.3954 0.7096 0.1665 1 0.0
P1 P+5 0.5236 0.2465 0.6803 1 0.0
O2 O-2 0.4587 0.4233 0.6685 1 0.0
O3 O-2 0.2237 0.3841 0.0274 1 0.0
O1 O-2 0.2371 0.3535 0.4095 1 0.0
O11 O-2 0.3004 0.8053 0.4241 1 0.0
Li1 Li+1 0.02 0.162 0.611 1 0.0
