#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/06/2024 

data_5yOhtAoR
_audit_creation_date            2024-11-06
_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                    "Cr1 V1 Mo1 O7"
_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            144429
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.95.144429

loop_
_citation_author_name
"M. Hase"
"Y. Ebukuro"
"H. Kuroe"
"M. Matsumoto"
"A. Matsuo"
"K. Kindo"
"J. R. Hester"
"T. J. Sato"
"H. Yamazaki"

_temperature_position_structure         35
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     26.5
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mU1- 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 35K
;

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

_parent_space_group.name_H-M_alt  'P -1'
_parent_space_group.IT_number                       2
_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,c;0,0,1/4'


_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_space_group_magn.point_group_name  "-11'"
_space_group_magn.point_group_number  "2.2.4"
_cell_length_a                 11.04200
_cell_length_b                 6.57500
_cell_length_c                 15.71800
_cell_angle_alpha              96.24
_cell_angle_beta               89.91
_cell_angle_gamma              101.99

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+1/2,y,z+1/2,+1 
3 x,y,z+1/2,-1 
4 x+1/2,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
Cr1 Cr 0.41300 0.31000 0.20400 1
V1 V 0.15550 0.24200 0.33250 1
Mo1 Mo 0.15050 0.20900 0.05450 1
O1 O 0.10150 0.98100 0.30800 1
O2 O 0.05400 0.37500 0.28700 1
O3 O 0.16800 0.29500 0.44550 1
O4 O 0.29850 0.31400 0.29000 1
O5 O 0.02850 0.31900 0.11100 1
O6 O 0.28200 0.29200 0.11650 1
O7 O 0.10650 0.94800 0.04900 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 0.10(5) 2.41(4) -1.42(6) mx,my,mz 2.92(7) ? ?

