#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:46:49
# Database entry: 1.1.43 Sr3Ru2O7
# Cif-like file for the case 1.1.43


data_5yOhtAoR
_audit_creation_date            2017-11-30
_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                    'Sr3 Ru2 O7'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Nature Materials"
_citation_journal_volume        14
_citation_page_first            373
_citation_page_last             378
_citation_article_id            .
_citation_year                  2015
_citation_DOI                   10.1038/nmat4181

loop_
_citation_author_name
"C. Lester"
"S. Ramos"
"R.S. Perry"
"T.P. Croft"
"R.I. Bewley"
"T. Guidi"
"P. Manuel"
"D.D. Khalyavin"
"E.M. Forgan"
"S.M. Hayden"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     1.1
_experiment_temperature     0.05

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM3 4 2 special primary 1 .
mGM3+ 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD in magnetic field H=8T (WISH-beamline, ISIS Facility, UK)
The experiment has been done in 14T cryomagnet with a dilution fridge refrigerator (very few magnetic reflections were measured)
;

_active_magnetic_irreps_details
;
2k structure: k1=(0,0,0) k2=(0.233,0,0)
two primary irreps active
;

_parent_space_group.name_H-M_alt              'I 4/m m m'
_parent_space_group.IT_number             139
_parent_space_group.transform_Pp_abc    ''

_cell_modulation_dimension               1

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.23400 0.00000 0.00000


_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'

_space_group.magn_ssg_name  "Im'm'm(a,0,0)0ss"
_space_group.magn_point_group_name  "m'm'm"
_space_group.magn_point_group_number  "8.4.27"
_cell_length_a                 3.88970
_cell_length_b                 3.88970
_cell_length_c                 20.73200
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 -x1,-x2,x3,-x4+1/2,+1
3 -x1,x2,-x3,-x4+1/2,-1
4 x1,-x2,-x3,x4,-1
5 -x1,-x2,-x3,-x4,+1
6 x1,x2,-x3,x4+1/2,+1
7 x1,-x2,x3,x4+1/2,-1
8 -x1,x2,x3,-x4,-1
9 x1+1/2,x2+1/2,x3+1/2,x4,+1
10 -x1+1/2,-x2+1/2,x3+1/2,-x4+1/2,+1
11 -x1+1/2,x2+1/2,-x3+1/2,-x4+1/2,-1
12 x1+1/2,-x2+1/2,-x3+1/2,x4,-1
13 -x1+1/2,-x2+1/2,-x3+1/2,-x4,+1
14 x1+1/2,x2+1/2,-x3+1/2,x4+1/2,+1
15 x1+1/2,-x2+1/2,x3+1/2,x4+1/2,-1
16 -x1+1/2,x2+1/2,x3+1/2,-x4,-1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+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 0.50000 0.50000 0.00000 1
Sr2_1 Sr 0.00000 0.00000 0.68626 1
Ru1_1 Ru 0.00000 0.00000 0.09741 1
O1_1 O 0.00000 0.00000 0.00000 1
O2_1 O 0.00000 0.00000 0.19580 1
O3_1 O 0.00000 0.50000 0.59640 1
O3_2 O 0.00000 0.50000 0.90360 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
Ru1_1 0.00000 0.00000 0.35 -

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
1 1

loop_
_atom_site_moment_Fourier.atom_site_label
_atom_site_moment_Fourier.axis
_atom_site_moment_Fourier.wave_vector_seq_id
_atom_site_moment_Fourier_param.cos
_atom_site_moment_Fourier_param.sin
_atom_site_moment_Fourier_param.cos_symmform
_atom_site_moment_Fourier_param.sin_symmform
Ru1_1 x 1 0.00000 0.00000 0.00000 0.00000
Ru1_1 y 1 -0.10000 0.00000 myc1 0.00000
Ru1_1 z 1 0.00000 0.00000 0.00000 0.00000


