#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:00:35
# Database entry: 0.137 Cu2V2O7
# Cif-like file for the case 0.137


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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 V2 O7'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        92
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            024423
_citation_year                  2015
_citation_DOI                   10.1103/PhysRevB.92.024423

loop_
_citation_author_name
"G. Gitgeatpong"
"Y. Zhao"
"M. Avdeev"
"R.O. Piltz"
"T.J. Sato"
"K. Matan"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     33.4
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NSD
weak FM
atomic position from a neutron measurement at 50K
cell parameters from room temperature powder X-ray measurement
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active: equivalent to MSG
weak FM is to be expected along c
;

_parent_space_group.name_H-M_alt  'F  d  d  2'
_parent_space_group.IT_number                       43
_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  43.227
_space_group_magn.name_BNS  "F  d'  d'  2"
_space_group_magn.point_group_name  "m'm'2"
_space_group_magn.point_group_number  "7.4.23"
_cell_length_a                 20.67800
_cell_length_b                 8.40500
_cell_length_c                 6.44600
_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
3 -x+1/4,y+1/4,z+1/4,-1
4 x+1/4,-y+1/4,z+1/4,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x+1/2,y,z+1/2,+1
4 x+1/2,y+1/2,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
Cu1 Cu 0.16551 0.36460 0.75200 1
V1 V 0.19900 0.40460 0.23700 1
O1 O 0.24605 0.56165 0.27230 1
O2 O 0.14428 0.43776 0.02860 1
O3 O 0.16200 0.34608 0.45510 1
O4 O 0.00000 0.00000 0.90070 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
Cu1 0.93(9) 0.0 0.0 mx,my,mz

