#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/05/2025

data_5yOhtAoR
_audit_creation_date            2025-04-05
_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                    "Sr2 V1 Cr1 As1 O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        64
_citation_page_first            6488
_citation_page_last             6496
_citation_article_id            .
_citation_year                  2025
_citation_DOI                   10.1021/acs.inorgchem.4c05253

loop_
_citation_author_name
"Yi-Qiang Lin"
"Hao Jiang"
"Jia-Xin Li"
"Hua-Xun Li"
"Hao Li"
"Si-Qi Wu"
"Shi-Jie Song"
"Wu-Zhang Yang"
"Yun-Lei Sun"
"Zhi Ren"
"Bai-jiang Lv"
"Guang-Han Cao"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     335
_experiment_temperature     6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

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

_parent_space_group.name_H-M_alt  'P 4/n m m'
_parent_space_group.IT_number                       129
_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  129.416
_space_group_magn.name_BNS  "P 4'/n' m' m"
_space_group_magn.point_group_name  "4'/m'm'm"
_space_group_magn.point_group_number  "15.5.57"
_cell_length_a                 3.92166(9)
_cell_length_b                 3.92166(9)
_cell_length_c                 15.9096(5)
_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,-z,+1 
3 -x,y+1/2,-z,+1 
4 -x+1/2,-y+1/2,z,+1 
5 y+1/2,-x,-z,+1 
6 -y,x+1/2,-z,+1 
7 -y+1/2,-x+1/2,z,+1 
8 y,x,z,+1 
9 -y+1/2,x,z,-1 
10 y,-x+1/2,z,-1 
11 y+1/2,x+1/2,-z,-1 
12 -y,-x,-z,-1 
13 -x,-y,-z,-1 
14 -x+1/2,y,z,-1 
15 x,-y+1/2,z,-1 
16 x+1/2,y+1/2,-z,-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
Sr1 Sr 0.25000 0.25000 0.1945(3) 1.
Sr2 Sr 0.75000 0.75000 0.4138(3) 1.
V1 V 0.25000 0.25000 0.3119 0.88(2)
Cr1 Cr 0.25000 0.25000 0.3119 0.12(2)
V2 V 0.25000 0.75000 0.00000 0.12(2)
Cr2 Cr 0.25000 0.75000 0.00000 0.88(2)
As1 As 0.25000 0.25000 0.0975(3) 1.
O1 O 0.25000 0.75000 0.2970(2) 1.
O2 O 0.25000 0.25000 0.438(3) 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
Cr1 0.0 0.0 0.0 0,0,0 0.0 ? ?
Cr2 0.0 0.0 1.9(1) 0,0,mz 1.9(1) ? ?

