#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/16/2021

data_5yOhtAoR
_audit_creation_date            2021-10-16
_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                    "Mn3 Ta2 O8"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Mater. Chem."
_citation_journal_volume        9
_citation_page_first            1575
_citation_page_last             1578
_citation_article_id            .
_citation_year                  1999
_citation_DOI                   10.1039/A902149C

loop_
_citation_author_name
"J. Grins"
"S. Esmaeilzadeh"
"P. Berastegui"
"S. Eriksson"

_temperature_position_structure         295
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     23
_experiment_temperature     10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3-GM4- 2 2 general primary 10 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 295K
Direction of the spins on the ab plane is undetermined. Here a simple crystallographic direction has been arbitrarily chosen.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim physically irreducible representation along a general direction
;

_parent_space_group.name_H-M_alt  "I 4_1/a"
_parent_space_group.IT_number           88
_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,-b;0,0,0'

_space_group_magn.number_BNS  15.87
_space_group_magn.name_BNS  "C 2'/c"
_space_group_magn.point_group_name  "2'/m"
_space_group_magn.point_group_number  "5.3.14"
_cell_length_a                 11.27280
_cell_length_b                 11.27280
_cell_length_c                 9.80300
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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+1/2,z,-1 
4 -x,-y,-z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y+1/2,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
Ta1_1 Ta5+ 0.42179 0.05600 0.12990 1
Ta1_2 Ta5+ 0.19400 0.17179 0.87990 1
Mn1_1 Mn2+ 0.87940 0.54880 0.09900 1
Mn1_2 Mn2+ 0.70120 0.62940 0.84900 1
Mn2 Mn2+ 0.00000 0.75000 0.87500 1
Mn3 Mn2+ 0.00000 0.75000 0.37500 1
O1_1 O2- 0.37180 0.20160 0.21010 1
O1_2 O2- 0.04840 0.12180 -0.03990 1
O2_1 O2- 0.46330 0.89650 0.01870 1
O2_2 O2- 0.35350 0.21330 0.76870 1
O3_1 O2- 0.19730 0.30800 -0.00040 1
O3_2 O2- 0.44200 0.44730 0.24960 1
O4_1 O2- 0.31680 -0.03740 0.24230 1
O4_2 O2- 0.28740 0.06680 -0.00770 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
Mn1_1 0.0 -4.01(2) 0.0 mx,my,mz 4.01(2) ? ?
Mn1_2 0.0 4.01(2) 0.0 mx,my,mz 4.01(2) ? ?
Mn2 0.0 4.01(2) 0.0 mx,my,0 4.01(2) ? ?
Mn3 0.0 4.01(2) 0.0 mx,my,0 4.01(2) ? ?

