#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:18:45
# Database entry: 1.177 Sr2CuWO6
# Cif-like file for the case 1.177


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                    'Sr2 Cu W O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        26
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            496001
_citation_year                  2014
_citation_DOI                   10.1088/0953-8984/26/49/496001

loop_
_citation_author_name
"S. Vasala"
"M. Avdeev"
"S. Danilkin"
"O. Chmaissem"
"M. Karppinen"




_atomic_positions_source_database_code_ICSD   193615
_atomic_positions_source_other               .

_transition_temperature     24
_experiment_temperature     3

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

_exptl_crystal_magnetic_properties_details
;
1k magnetic structure
only one MGS possible for the observed propagation vector
;

_active_magnetic_irreps_details
;
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'I  4/m'
_parent_space_group.IT_number                       87
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  'a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a+1/4b-1/4c,-1/2a+1/4b-1/4c,a+1/2b+1/2c;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                 5.41120
_cell_length_b                 10.82240
_cell_length_c                 16.82500
_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

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+1/4,z+3/4,+1
4 x+1/2,y+3/4,z+1/4,+1
5 x+1/2,y+1/4,z+1/4,-1
6 x+1/2,y+3/4,z+3/4,-1
7 x,y+1/2,z,-1
8 x,y,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 Sr 0.00000 0.25000 0.12500 1
Cu1 Cu 0.00000 0.00000 0.25000 1
W1 W 0.00000 0.00000 0.00000 1
O1_1 O 0.28900 0.10075 0.00000 1
O1_2 O 0.79850 0.14450 0.00000 1
O2 O 0.00000 0.00000 0.11385 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 0.57(1) 0.0 0.0 mx,my,mz

