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#$Date: 2017-12-03 01:31:32 +0200 (Sun, 03 Dec 2017) $
#$Revision: 203889 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/24/1512486.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_1512486
loop_
_publ_author_name
'Takanori Mori'
'Kazuko Inoue'
'Naoki Kamegashira'
'Yasuo Yamaguchi'
'Kenji Ohoyama'
_publ_section_title
;
 Neutron diffraction study of Sr2Mn2O5
;
_journal_issue                   1--2
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              92
_journal_page_last               97
_journal_paper_doi               10.1016/S0925-8388(99)00521-6
_journal_volume                  296
_journal_year                    2000
_chemical_formula_sum            'Mn2 O5 Sr2'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.499(3)
_cell_length_b                   10.73(7)
_cell_length_c                   7.600(6)
_computing_structure_refinement  'RIETAN (1985)'
_diffrn_ambient_temperature      20
_diffrn_detector                 'multidetector Hermes diffractometer'
_diffrn_radiation_probe          neutron
_diffrn_radiation_source
;
 T1-3 port of research reactor JRR-3M of the Japan Atomic Energy
 Research Institute (JAERI)
;
_diffrn_radiation_wavelength     1.8196
_exptl_crystal_thermal_history
;
 Adequate amounts of SrCO3 and Mn2O3 were first mixed and heated at
 1273 K in air in order to ensure decarbonation, and then heated at
 1523 K in air.

 The resulting product was heated in flow of a mixing gas of 0.1%H2+Ar
 at 1373 K and quenched to the ice point.
;
_pd_proc_ls_prof_R_factor        0.0708
_pd_proc_ls_prof_wR_factor       0.0962
_cod_data_source_file            2000_Mori_JAC296_92.cif
_cod_data_source_block           20K
_cod_original_sg_symbol_H-M      Pnnm
_cod_database_code               1512486
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x+1/2,-y+1/2,-z+1/2
4 -x+1/2,y+1/2,-z+1/2
5 -x,-y,-z
6 x,y,-z
7 -x+1/2,y+1/2,z+1/2
8 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Sr 8 h 0.789(1) 0.1362(9) 0.25 0.0(2)
Mn(1) 4 g 0.259(3) 0.1242(9) 0 0.3(3)
Mn(2) 4 g 0.259(3) 0.1242(9) 0 0.3(3)
O(1) 2 a 0 0 0 0.4(2)
O(1)' 2 b 0 0 0.5 0.4(2)
O(2) 4 g 0.532(2) 0.227(1) 0.5 0.1(3)
O(2)' 4 g 0.532(2) 0.227(1) 0.0 0.1(3)
O(3) 8 h 0.287(2) 0.104(1) 0.25 0.2(3)
