#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:10:28
# Database entry: 1.71 SrCo2V2O8
# Cif-like file for the case 1.71


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 Co2 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   400765
_atomic_positions_source_other               .

_transition_temperature     5.2
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM5 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (5 possible)
;

_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 [1 1 1]

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


_space_group_magn.number_BNS  29.110
_space_group_magn.name_BNS  "P_I  c  a  2_1"
_space_group_magn.point_group_name  "mm21'"
_space_group_magn.point_group_number  "7.2.21"
_cell_length_a                 12.26700
_cell_length_b                 12.26700
_cell_length_c                 8.42400
_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+1/2,z+1/2,+1
3 -x,y,z+1/2,+1
4 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
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
Co1_1 Co 0.32920 0.33350 0.22120 1
Co1_2 Co 0.66650 0.82920 0.47120 1
V1_1 V 0.26080 0.08000 0.09340 1
V1_2 V 0.92000 0.76080 0.34340 1
O1_1 O 0.14500 0.50100 0.00200 1
O1_2 O 0.49900 0.64500 0.25200 1
O2_1 O 0.34400 0.66800 0.47700 1
O2_2 O 0.33200 0.84400 0.72700 1
O3_1 O 0.16000 0.68400 0.71300 1
O3_2 O 0.31600 0.66000 0.96300 1
O4_1 O 0.32400 0.49800 0.19100 1
O4_2 O 0.50200 0.82400 0.44100 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
Co1_1 0.0 0.0 2.25(5) mx,my,mz
Co1_2 0.0 0.0 2.25(5) mx,my,mz

