#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:19:39
# Database entry: 2.2 Sr2F2Fe2OS2
# Cif-like file for the case 2.2


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                    'Sr2 F2 Fe2 O S2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B (R)"
_citation_journal_volume        87
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            020406
_citation_year                  2013
_citation_DOI                   10.1103/physrevb.87.020406

loop_
_citation_author_name
"L.L. Zhao"
"S. Wu"
"J.K. Wang"
"J.P. Hodges"
"C. Broholm"
"E. Morosan"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     106
_experiment_temperature     16

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mN2+ 4 1 special-2 primary . .
mN1+ 4 1 special-2 secondary . .

_exptl_crystal_magnetic_properties_details
;
2k-magnetic structure
;

_active_magnetic_irreps_details
;
mN1+ possible secondary irrep
;

_parent_space_group.name_H-M_alt  'I  4/m  m  m'
_parent_space_group.IT_number                       139
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [-1/2 0 1/2]
k2 [0 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a/2-b/2-c/2,a+b,a/4-b/4+c/4;0,0,0'


_space_group_magn.number_BNS  12.64
_space_group_magn.name_BNS  "C_a  2/m"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 8.0724
_cell_length_b                 8.0724
_cell_length_c                 35.9830
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 y,x,-z,+1
3 -x,-y,-z,+1
4 -y,-x,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/4,y+3/4,z+1/4,+1
3 x+1/2,y+1/2,z+1/2,+1
4 x+3/4,y+1/4,z+3/4,+1
5 x+1/2,y+1/2,z,-1
6 x+3/4,y+1/4,z+1/4,-1
7 x,y,z+1/2,-1
8 x+1/4,y+3/4,z+3/4,-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_1 Sr 0.00000 0.00000 0.83490 1
Sr_2 Sr 0.00000 0.50000 0.83490 1
F_1 F 0.25000 0.00000 0.87500 1
F_2 F 0.75000 0.00000 0.87500 1
O_1 O 0.25000 0.75000 0.00000 1
O_2 O 0.75000 0.75000 0.00000 1
Fe_1 Fe 0.50000 0.75000 0.00000 1
S_1 S 0.75000 0.25000 0.79675 1
S_2 S 0.75000 0.75000 0.79675 1

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_1 3.3(1) 0.0 0.0 mx,my,mz

