#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:03:40
# Database entry: 0.165 SrMn(VO4)(OH)
# Cif-like file for the case 0.165


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 Mn (V O4 )(O H )'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        93
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            224407
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.93.224407

loop_
_citation_author_name
"L.D. Sanjeewa"
"V.O. Garlea"
"M.A. McGuire"
"C.D. McMillen"
"H. Cao"
"J.W. Kolis"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     30
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1 1 1 . primary 3 .
mGM3 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure, including lattice parameters, from a measurement at 300K, except for the Mn-site coordinates.
;

_active_magnetic_irreps_details
;
1k magnetic structure
two 1-dim irreps are active as primary irreps
;

_parent_space_group.name_H-M_alt  'P  2_12_12_1'
_parent_space_group.IT_number                       19
_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  '-b,a,c;0,1/4,0'


_space_group_magn.number_BNS  4.7
_space_group_magn.name_BNS  "P  2_1"
_space_group_magn.point_group_name  "2"
_space_group_magn.point_group_number  "3.1.6"
_cell_length_a                 6.1322
_cell_length_b                 7.7201
_cell_length_c                 9.414
_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

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
Sr1_1 Sr 0.02489 0.86680 0.83053 1
Sr1_2 Sr 0.47511 0.13320 0.33053 1
Mn1_1 Mn 0.255 0.256 0.995 1
Mn1_2 Mn 0.244 0.743 0.495 1
V1_1 V 0.98836 0.88094 0.18244 1
V1_2 V 0.51164 0.11906 0.68244 1
O1_1 O 0.00690 0.90310 0.57240 1
O1_2 O 0.49310 0.09690 0.07240 1
H1_1 H 0.03600 0.98900 0.51600 1
H1_2 H 0.46400 0.01100 0.01600 1
O2_1 O 0.00840 0.05490 0.06530 1
O2_2 O 0.49160 0.94510 0.56530 1
O3_1 O 0.22970 0.85490 0.27540 1
O3_2 O 0.27030 0.14510 0.77540 1
O4_1 O 0.76220 0.88920 0.29160 1
O4_2 O 0.73780 0.11080 0.79160 1
O5_1 O 0.94060 0.71190 0.07350 1
O5_2 O 0.55940 0.28810 0.57350 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
Mn1_1 0.5 2. -2.6 mx,my,mz
Mn1_2 0.5 -2. 2.6 mx,my,mz

