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#$Date: 2016-11-05 12:03:24 +0200 (Sat, 05 Nov 2016) $
#$Revision: 187858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/44/1544495.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_1544495
loop_
_publ_author_name
'Miyazaki, Y.'
'Huang, X.'
'Kajiwara, T.'
'Yamane, H.'
'Kajitani, T.'
_publ_section_title
;
 Synthesis, crystal structure and physical properties of layered cobalt
 oxide CaxCoO2 (x~0.47)
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              42
_journal_page_last               46
_journal_volume                  117
_journal_year                    2009
_chemical_formula_sum            'Ca0.47 Co O2'
_chemical_name_common            Ca0.47CoO2
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                75.400(9)
_cell_angle_beta                 89.974(9)
_cell_angle_gamma                81.261(9)
_cell_formula_units_Z            1
_cell_length_a                   4.924(2)
_cell_length_b                   5.683(3)
_cell_length_c                   5.685(3)
_cell_volume                     152.04(13)
_cod_data_source_file            Ca0.47CoO2.cif
_cod_data_source_block           Ca0.47CoO2
_cod_database_code               1544495
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Ca1 0.6790 0.359(2) 0.690(2) 0.585(2) Uiso 0.007400 Ca
Ca2 0.8420 0.737(2) 0.706(2) 0.079(2) Uiso 0.007400 Ca
Ca3 0.2320 0.722(4) 0.705(4) 0.592(3) Uiso 0.007400 Ca
Ca4 0.1150 0.186(6) 0.692(6) 0.841(5) Uiso 0.007400 Ca
Co1 1.0 0.3103(7) 0.1943(7) 0.9599(7) Uiso 0.006700 Co
Co2 1.0 0.3041(8) 0.1979(8) 0.4525(7) Uiso 0.006700 Co
Co3 1.0 0.8081(8) 0.1889(9) 0.2061(8) Uiso 0.006700 Co
Co4 1.0 0.8138(7) 0.1969(8) 0.7084(7) Uiso 0.006700 Co
O1 1.0 0.009(5) -0.005(4) -0.002(5) Uiso 0.007200 O
O2 1.0 0.016(5) 0.002(5) 0.504(5) Uiso 0.007200 O
O3 1.0 0.113(5) 0.373(5) 0.159(5) Uiso 0.007200 O
O4 1.0 0.109(5) 0.374(5) 0.658(5) Uiso 0.007200 O
O5 1.0 0.513(5) -0.001(5) 0.251(5) Uiso 0.007200 O
O6 1.0 0.513(5) -0.004(4) 0.753(5) Uiso 0.007200 O
O7 1.0 0.611(5) 0.371(4) 0.911(5) Uiso 0.007200 O
O8 1.0 0.617(4) 0.385(4) 0.403(5) Uiso 0.007200 O
