#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 23/10/2020 18:38:53
# icsd_253021_Na_220K_shifted.cif

data_5yOhtAoR
_audit_creation_date            2020-10-23
_audit_creation_method          "Bilbao Crystallographic Server"


_chemical_formula_sum                    'K Fe3 (O H)6 (S O4)2'

_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        177
_citation_page_first            752
_citation_page_last             753
_citation_article_id            .
_citation_year                  1998
_citation_DOI                   10.1016/S0304-8853(97)00986-4

loop_
_citation_author_name
"T. Inami"
"S. Maegawa"
"M. Takano"



_atomic_positions_source_database_code_ICSD  253021
_atomic_positions_source_other               .

_transition_temperature  50
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT1-  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure used here from a model at 220K retrieved from ICSD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim irrep as primary
A non-zero mz component allowed within the same irrep
;

_parent_space_group.name_H-M_alt  'R -3 m'
_parent_space_group.IT_number                       166
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 3/2]

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,1/4'



_space_group_magn.number_BNS  167.108
_space_group_magn.name_BNS  "R_I -3c"
_cell_length_a             7.30900
_cell_length_b             7.30900
_cell_length_c             33.08400
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

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

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 S 0.00000 0.00000 0.15627
Fe1 Fe 0.50000 0.00000 0.25000
O1 O 0.55645 0.44355 0.30806
O2 O 0.20783 0.79217 0.26693
O3 O 0.00000 0.00000 0.20039
Na1 Na 0.00000 0.00000 0.00000
H1 H 0.14520 0.29000 0.27650

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Fe1 2.02 4.04 0.00000 mx,2mx,mz 3.5(1)

