#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/30/2019 

data_5yOhtAoR
_audit_creation_date            2019-05-30
_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                    "Dy Fe W O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        95
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            224416
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.95.224416

loop_
_citation_author_name
"S. Ghara"
"E. Suard"
"F. Fauth"
"T.T. Tran"
"P.S. Halasyamani"
"A. Iyo"
"J. Rodriguez-Carvajal"
"A. Sundaresan"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     18
_experiment_temperature     3.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT1 2 2 special primary 12 .

_exptl_crystal_magnetic_properties_details
;
NPD
Symmetry-mode parameterization was employed in the refinement.
Extremely non-collinear atructure
A weak symmetry-compatible monoclinic displacive structural distortion (irrep distortion GM4) induced by the magnetic ordering is reported and it is given a quantitative value, but it is not included in the present structure. 
Detailed values of the moment components, not given in the article, are taken from a private communication from J. Rodriguez-Carvajal. Moment magnitudes and atomic coordinates, slightly differing from those given in the article, also come from this private communication. 
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry (2 possible)
2-dim primary irrep along a special direction
Only one irrep exists for this propagation vector
;

_parent_space_group.name_H-M_alt  "P n a 2_1"
_parent_space_group.IT_number                       33
_parent_space_group.transform_Pp_abc  "a,b,c;0,0,0"

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

_parent_space_group.child_transform_Pp_abc  "a,2b,2c;0,0,0"
_space_group_magn.transform_BNS_Pp_abc  "c,b,-a;0,1/8,0"

_space_group_magn.number_BNS  9.41
_space_group_magn.name_BNS  "C_a c"
_space_group_magn.point_group_name  "m1'"
_space_group_magn.point_group_number  "4.2.10"
_cell_length_a                 10.97206(5)
_cell_length_b                 10.36716(5)
_cell_length_c                 14.67390(6)
_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 x+1/2,-y+1/4,z,+1 

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy_1 Dy 0.04250 0.22879(10) 0.12500 1
Dy_2 Dy 0.95750 0.77120(10) 0.37500 1
Fe_1 Fe 0.1361(4) 0.4834(5) 0.4966(5) 1
Fe_2 Fe 0.8639(4) 0.5166(5) 0.7466(5) 1
W_1 W 0.3540(5) 0.2270(7) 0.0044(6) 1
W_2 W 0.6460(5) 0.7730(7) 0.2544(6) 1
O1_1 O 0.9736(7) 0.3811(7) 0.0197(8) 1
O1_2 O 0.0264(7) 0.6189(7) 0.2697(8) 1
O2_1 O 0.5236(11) 0.1299(11) 0.4778(11) 1
O2_2 O 0.4764(11) 0.8701(11) 0.7278(11) 1
O3_1 O 0.2157(8) 0.3031(10) 0.0314(7) 1
O3_2 O 0.7843(8) 0.6969(10) 0.2814(7) 1
O4_1 O 0.2934(5) 0.0645(6) 0.4671(5) 1
O4_2 O 0.7066(5) 0.9355(6) 0.7171(5) 1
O5_1 O 0.1435(3) 0.0301(3) 0.1265(12) 1
O5_2 O 0.8565(3) 0.9699(3) 0.3765(12) 1
O6_1 O 0.1205(3) 0.4145(3) 0.3737(10) 1
O6_2 O 0.8795(3) 0.5855(3) 0.6237(10) 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
_atom_site_moment.magnitude
Dy_1 -0.4(3) -5.62(12) -5.30(10) mx,my,mz  7.74(4)
Dy_2 0.4(3) -5.41(11) 5.52(8)    mx,my,mz  7.74(4)
Fe_1 3.36(13) 2.3(3) -2.77(16)   mx,my,mz  4.94(10)
Fe_2 -0.4(5) -4.88(11) -0.52(16) mx,my,mz  4.94(10)

