#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:49:31
# Database entry: 0.34 La0.5Sr0.5FeO2.5F0.5
# Cif-like file for the case 0.34


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'La0 .5Sr0 .5Fe O2 .5F0 .5'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        206
_citation_page_first            158
_citation_page_last             169
_citation_article_id            .
_citation_year                  2013
_citation_DOI                   10.1016/j.jssc.2013.08.013

loop_
_citation_author_name
"O. Clemens"
"F.J. Berry"
"A.J. Wright"
"K.S. Knight"
"J. Perez-Mato"
"J. Igartua"
"P.R. Slater"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     700
_experiment_temperature     290

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       062
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  62.448
_space_group_magn.name_BNS  "P  n'  m  a'  "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 5.55750
_cell_length_b                 7.87310
_cell_length_c                 5.58870
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,y+1/2,-z,+1
3 -x,-y,-z,+1
4 x,-y+1/2,z,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x+1/2,-y,z+1/2,-1
7 -x+1/2,y+1/2,z+1/2,-1
8 x+1/2,y,-z+1/2,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr Sr 0.99275 0.25000 0.49747 0.5
La La 0.99275 0.25000 0.49747 0.5
Fe Fe 0.00000 0.00000 0.00000 1.0
O1 O 0.00150 0.25000 0.93695 0.8333
F1 F 0.00150 0.25000 0.93695 0.1667
O2 O 0.23763 0.03458 0.26096 0.8333
F2 F 0.23763 0.03458 0.26096 0.1667

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe 0.0 0.0 3.5 mx,my,mz

