#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/04/2022

data_5yOhtAoR
_audit_creation_date            2022-02-04
_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                    "Fe2 W O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Acta Cryst. A”
_citation_journal_volume        33
_citation_page_first            663
_citation_page_last             667
_citation_article_id            .
_citation_year                  1977
_citation_DOI                   10.1107/s0567739477001648

loop_
_citation_author_name
"H. Pinto"
"M. Melamud"
"H. Shaked"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  1147
_atomic_positions_source_other               .

_transition_temperature     240
_experiment_temperature     .

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+ 1 1 . primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
Alternative models with both Fe moments constrained to be equal and/or the mx components unconstrained to be zero are also reported (see #0.810) .
;

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

_parent_space_group.name_H-M_alt  'P b c n'
_parent_space_group.IT_number                       60
_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  60.423
_space_group_magn.name_BNS  "P b c' n'"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 4.57600
_cell_length_b                 16.76600
_cell_length_c                 4.96700
_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+1/2,-y+1/2,-z,+1 
3 -x,-y,-z,+1 
4 -x+1/2,y+1/2,z,+1 
5 -x,y,-z+1/2,-1 
6 -x+1/2,-y+1/2,z+1/2,-1 
7 x,-y,z+1/2,-1 
8 x+1/2,y+1/2,-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
Fe1 Fe 0.00000 0.05640 0.25000 1
Fe2 Fe 0.00000 0.72420 0.25000 1
W1 W 0.00000 0.38725 0.25000 1
O1 O 0.24000 0.04090 0.59580 1
O2 O 0.27340 0.12710 0.06920 1
O3 O 0.27600 0.20350 0.58170 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
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Fe1 0.0 0.0 2.55(7) mx,0,mz 2.55(7) ? ?
Fe2 0.0 0.0 2.15(15) mx,0,mz 2.15(15) ? ?

