#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/11/2023

data_5yOhtAoR
_audit_creation_date            2023-01-11
_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                    "Cu2 Mn1 Sn1 S4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Bull. Soc. fr. Mineral."
_citation_journal_volume        93
_citation_page_first            141
_citation_page_last             145
_citation_article_id            .
_citation_year                  1970
_citation_DOI                   10.3406/bulmi.1970.6446

loop_
_citation_author_name
"J. Allemand"
"M. Wintenberger"

_temperature_position_structure         300
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  42489
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mN2 4 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
Transition temperature is not provided
The MSG assigned in the article to the reported structure is incorrect
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep as primary
The active irrep has 4 k-vectors in its star. Multi-k orderings, which could equally fit the data are not discussed.
Mn moment forms 130 degrees with the Ox axis. Moment modulus: 4.3 muB. Moment components given here are only approximate. 
;

_parent_space_group.name_H-M_alt  'I -4 2 m'
_parent_space_group.IT_number                       121
_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]

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


_space_group_magn.number_BNS  5.16
_space_group_magn.name_BNS  "C_c 2"
_space_group_magn.point_group_name  "21'"
_space_group_magn.point_group_number  "3.2.7"
_cell_length_a                 10.98000
_cell_length_b                 5.49000
_cell_length_c                 21.44000
_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,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+1/4,y+1/2,z+3/4,+1 
3 x+1/2,y,z+1/2,+1 
4 x+3/4,y+1/2,z+1/4,+1 
5 x+1/2,y,z,-1 
6 x+3/4,y+1/2,z+3/4,-1 
7 x,y,z+1/2,-1 
8 x+1/4,y+1/2,z+1/4,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn 0.00000 0.00000 0.00000 1
Sn1 Sn 0.00000 0.00000 0.25000 1
Cu1 Cu 0.00000 0.50000 0.12500 1
S1_1 S 0.12510 0.25020 0.31535 1
S1_2 S 0.87490 0.74980 0.31535 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 -2.8 0.0 3.3 mx,0,mz 4.3 ? ?

