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#$Date: 2015-10-01 16:46:53 +0300 (Thu, 01 Oct 2015) $
#$Revision: 159469 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533328.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_1533328
loop_
_publ_author_name
'Zhu, J.L.'
'Yu, R.C.'
'Li, F.Y.'
'Jin, C.Q.'
_publ_section_title
;
 La-doping and external pressure effects on the crystal structure of
 layered perovskite-like manganate Ca3 Mn2 O7
;
_journal_name_full
'Physica Status Solidi, Sectio A: Applied Research'
_journal_page_first              159
_journal_page_last               166
_journal_volume                  194
_journal_year                    2002
_chemical_formula_sum            'Ca3 Mn2 O7'
_chemical_name_systematic        'Ca3 (Mn2 O7)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.6957
_cell_length_b                   3.6957
_cell_length_c                   19.4873
_cell_volume                     266.161
_citation_journal_id_ASTM        PSSABA
_cod_data_source_file            Zhu_PSSABA_2002_636.cif
_cod_data_source_block           Ca3Mn2O7
_cod_original_cell_volume        266.1614
_cod_database_code               1533328
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
O1 O-2 0 0 0 1 0.0
Ca2 Ca+2 0 0 0.3114 1 0.0
O2 O-2 0 0.5 0.0872 1 0.0
Mn1 Mn+4 0 0 0.0987 1 0.0
O3 O-2 0 0 0.1999 1 0.0
Ca1 Ca+2 0 0 0.5 1 0.0
