data_global
_amcsd_formula_title 'Ba5(VO4)3OH'
loop_
_publ_author_name
'Mugavero S J'
'Bharathy M'
'McAlum J'
'Loye H C'
_journal_name_full 'Solid State Sciences'
_journal_volume 10 
_journal_year 2008
_journal_page_first 370
_journal_page_last 376
_publ_section_title
;
 Crystal growth of alkaline earth vanadates from hydroxide fluxes
;
_database_code_amcsd 0019960
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba5 V3 O13 H'
_cell_length_a 10.4589
_cell_length_b 10.4589
_cell_length_c 7.8476
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 743.429
_exptl_crystal_density_diffrn      4.684
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba1   0.33333   0.66667  -0.00048   1.00000   0.01454
Ba2   0.25894   0.01565   0.25000   1.00000   0.01466
V   0.36737   0.40080   0.25000   1.00000   0.01144
O1   0.46470   0.59000   0.25000   1.00000   0.01920
O2   0.48170   0.32690   0.25000   1.00000   0.01870
O3   0.25510   0.34690   0.07560   1.00000   0.02310
O4   0.00000   0.00000   0.18320   0.50000   0.02910
H   0.00000   0.00000   0.07600   0.50000   0.05000