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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533383.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_1533383
loop_
_publ_author_name
'Gaudin, E.'
'Goglio, G.'
'Darriet, J.'
'Besnard, A.'
_publ_section_title
;
 Synthesis, crystal structure and magnetic properties of the manganate La2
 Ca2 Mn O6 (O2) related to the hexagonal perovskite-type structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              124
_journal_page_last               131
_journal_volume                  175
_journal_year                    2003
_chemical_formula_sum            'Ca2 La2 Mn O8'
_chemical_name_systematic        'La2 Ca2 (Mn O6 (O2))'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.6335
_cell_length_b                   5.6335
_cell_length_c                   17.4879
_cell_volume                     480.646
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gaudin_JSSCBI_2003_161.cif
_cod_data_source_block           Ca2La2Mn1O8
_cod_original_cell_volume        480.6455
_cod_original_formula_sum        'Ca2 La2 Mn1 O8'
_cod_database_code               1533383
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Ca2 Ca+2 0 0 0.82724 0.899 0.0
Ca1 Ca+2 0 0 0.37492 0.101 0.0
Mn1 Mn+4 0 0 0 1 0.0
La2 La+3 0 0 0.82724 0.101 0.0
O2 O-1 0 0.1441 0.5 0.333 0.0
La1 La+3 0 0 0.37492 0.899 0.0
O1 O-2 0.0178 0.5089 0.6035 1 0.0
