#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:07:23
# Database entry: 1.35 LiErF4
# Cif-like file for the case 1.35


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                    'Li Er F4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "SCIENCE"
_citation_journal_volume        336
_citation_page_first            1416
_citation_page_last             1419
_citation_article_id            .
_citation_year                  2012
_citation_DOI                   10.1126/science.1221878

loop_
_citation_author_name
"C. Kraemer"
"N. Nikseresht"
"J.O. Piatek"
"N. Tsyrulin"
"B.D. Piazza"
"K. Kiefer"
"B. Klemke"
"T.F. Rosenbaum"
"G. Aeppli"
"C. Gannarelli"
"K. Prokes"
"A. Podlesnyak"
"T. Strassle"
"L. Keller"
"O. Zaharko"
"K.W. Kramer"
"H.M. Ronnow"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     373
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM2 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NSD, NPD
F site positions not given in reference. Approximate values taken from
similar LiYF4 (icsd_73709)
oblique moment direction on the plane xy allowed by symmetry
reference uses origin choice 1. It has been passed to origin choice 2.
;

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

_parent_space_group.name_H-M_alt  'I  4_1/a'
_parent_space_group.IT_number                       88
_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,a;0,0,0'


_space_group_magn.number_BNS  14.84
_space_group_magn.name_BNS  "P_C  2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 5.16200
_cell_length_b                 5.16200
_cell_length_c                 10.7000
_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,z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,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
Er Er 0.00000 0.25000 0.62500 1
Li Li 0.00000 0.25000 0.12500 1
F11 F 0.21830 0.58550 0.54370 1
F12 F 0.16450 0.46830 0.79370 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
Er 0.0 2.2(1) 0.0 mx,my,0

