#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:54:51
# Database entry: 0.90 Rb2Fe2O(AsO4)2
# Cif-like file for the case 0.90


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                    'Rb2 Fe2 O (As O4 )2'
_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            014426
_citation_year                  2014
_citation_DOI                   10.1103/PhysRevB.89.014426

loop_
_citation_author_name
"V.O. Garlea"
"L.D. Sanjeewa"
"M.A. McGuire"
"P. Kumar"
"D. Sulejmanovic"
"J. He"
"S.-J. Hwu"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     25
_experiment_temperature     4

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

_exptl_crystal_magnetic_properties_details
;
NPD
atomic positions from room temperature refinement
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep active (i.e. equivalence between magnetic space group and irrep assignment)
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_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  62.441
_space_group_magn.name_BNS  "P  n  m  a"
_space_group_magn.point_group_name  "mmm"
_space_group_magn.point_group_number  "8.1.24"
_cell_length_a                 8.5331
_cell_length_b                 5.7892
_cell_length_c                 18.611
_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+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x+1/2,y+1/2,z+1/2,+1
7 x,-y+1/2,z,+1
8 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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 Rb 0.8888(1) 0.25 0.8628(1) 1
Rb2 Rb 0.0379(1) 0.25 0.2679(1) 1
Fe1 Fe 0.2844(1) 0.25 0.4347(1) 1
Fe2 Fe 0.0 0.0 0.5 1
As1 As 0.8204(1) 0.25 0.6426(2) 1
As2 As 0.6758(1) 0.25 0.4440(2) 1
O1 O 1.0580(1) 0.25 0.4375(3) 1
O2 O 0.9610(1) 0.25 0.5760(3) 1
O3 O 0.7666(1) 0.0108(1) 0.4785(2) 1
O4 O 0.4923(1) 0.25 0.4744(4) 1
O5 O 0.7043(1) 0.0127(1) 0.6338(2) 1
O6 O 0.6843(1) 0.25 0.3556(3) 1
O7 O 0.9130(2) 0.25 0.7197(3) 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
Fe1 0.0 3.64(6) 0.0 0,my,0
Fe2 -1.19(8) -2.88(4) 0.68(9) mx,my,mz

