#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:51:40
# Database entry: 0.62 SrMn2V2O8
# Cif-like file for the case 0.62


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                    'Sr Mn2 V2 O8'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        89
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            094402
_citation_year                  2014
_citation_DOI                   10.1103/physrevb.89.094402

loop_
_citation_author_name
"A.K. Bera"
"B. Lake"
"W.-D. Stein"
"S. Zander"






_atomic_positions_source_database_code_ICSD   182224
_atomic_positions_source_other               .

_transition_temperature     42.2
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
phase symmetry allows ferrimagnetism
;

_parent_space_group.name_H-M_alt  'I  4_1c  d'
_parent_space_group.IT_number                       110
_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  45.237
_space_group_magn.name_BNS  "I  b'  a  2'"
_space_group_magn.point_group_name  "m'm2'"
_space_group_magn.point_group_number  "7.3.22"
_cell_length_a                 12.44220
_cell_length_b                 12.44220
_cell_length_c                 8.68330
_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
3 -x,-y,z,-1
4 -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+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
Sr1_1 Sr 0.00000 0.00000 0.00000 1
Sr1_2 Sr 0.00000 0.50000 0.25000 1
V1_1 V 0.26406 0.07899 0.07790 1
V1_2 V 0.92101 0.76406 0.32790 1
Mn1_1 Mn2+ 0.33080 0.33215 0.21024 1
Mn1_2 Mn2+ 0.66785 0.83080 0.46024 1
O1_1 O 0.14080 0.49810 0.99200 1
O1_2 O 0.50190 0.64080 0.24200 1
O2_1 O 0.15330 0.68690 0.70090 1
O2_2 O 0.31310 0.65330 0.95090 1
O3_1 O 0.32390 0.49950 0.17100 1
O3_2 O 0.50050 0.82390 0.42100 1
O4_1 O 0.33280 0.15600 0.21240 1
O4_2 O 0.84400 0.83280 0.46240 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
Mn1_1 0.0 -3.99(1) 0.0 mx,my,mz
Mn1_2 0.0 3.99 0.0 mx,my,mz

