#------------------------------------------------------------------------------
#$Date: 2015-09-18 07:00:29 +0300 (Fri, 18 Sep 2015) $
#$Revision: 157550 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002530.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_4002530
loop_
_publ_author_name
'Pelloquin, D.'
'Maignan, A.'
'Hervieu, M.'
'Hebert, S.'
'Martin, C.'
'Michel, C.'
'Wang, L.-B.'
'Raveau, B.'
_publ_section_title
;
 New misfit cobaltites (Pb0.7 A0.4 Sr1.9 O3) (Co O2)1.8 (A = Hg, Co)with
 large thermopower
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3100
_journal_page_last               3105
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Co1.8 O6.6 Pb0.83 Sr2.26'
_chemical_name_systematic        '(Pb0.83 Sr2.26 O3) (Co O2)1.8'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.78
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   4.9432
_cell_length_b                   25.134
_cell_length_c                   11.617
_cell_volume                     1430.038
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Pelloquin_CMATEX_2002_673.cif
_cod_data_source_block           Co1.8O6.6Pb0.83Sr2.26
_cod_database_code               4002530
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
x+1/2,y+1/2,z
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
O16 O-2 0.12 0.1111 0.085 1 0.0
O12 O-2 0.38 0.1111 -0.085 1 0.0
Sr2 Sr+2 0.57 0 0.7325 1.13 0.0
Co2 Co+3 0.75 0.1111 0 1 0.0
O6 O-2 0.951 0.2 0.32 1 0.0
O4 O-2 0.951 0 0.32 1 0.0
O19 O-2 0.12 0.4444 0.085 1 0.0
O1 O-2 0.5 0 0.5 1 0.0
O2 O-2 0.5 0.2 0.5 1 0.0
Sr5 Sr+2 0.57 0.2 0.7325 1.13 0.0
O17 O-2 0.12 0.2222 0.085 1 0.0
O7 O-2 0.951 0.4 0.32 1 0.0
Co4 Co+3 0.75 0.3333 0 1 0.0
Pb1 Pb+2 0 0 0.5 0.83 0.0
O13 O-2 0.38 0.2222 -0.085 1 0.0
O3 O-2 0.5 0.4 0.5 1 0.0
Co5 Co+3 0.75 0.4444 0 1 0.0
Co3 Co+3 0.75 0.2222 0 1 0.0
Co1 Co+3 0.75 0 0 1 0.0
Sr3 Sr+2 0.43 0.2 0.2675 1.13 0.0
Pb2 Pb+2 0 0.2 0.5 0.83 0.0
O9 O-2 0.049 0.4 0.68 1 0.0
O5 O-2 0.049 0 0.68 1 0.0
Pb3 Pb+2 0 0.4 0.5 0.83 0.0
O11 O-2 0.12 0 0.085 1 0.0
O18 O-2 0.12 0.3333 0.085 1 0.0
O15 O-2 0.38 0.4444 -0.085 1 0.0
Sr1 Sr+2 0.43 0 0.2675 1.13 0.0
O10 O-2 0.38 0 -0.085 1 0.0
Sr4 Sr+2 0.43 0.4 0.2675 1.13 0.0
O14 O-2 0.38 0.3333 -0.085 1 0.0
Sr6 Sr+2 0.57 0.4 0.7325 1.13 0.0
O8 O-2 0.049 0.2 0.68 1 0.0
