data_global
_chemical_name_mineral 'Paramontroseite'
loop_
_publ_author_name
'Curetti N'
'Pavese A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 35 
_journal_year 2023
_journal_page_first 373
_journal_page_last 382
_publ_section_title
;
 Fe-bearing vanadium dioxide-paramontroseite:
 structural details and high-temperature transformation
;
_database_code_amcsd 0021204
_chemical_compound_source 'Prachovice mine, Czech Republic'
_chemical_formula_sum 'V.762 Fe.196 Al.03 O2'
_cell_length_a 4.8960
_cell_length_b 9.395
_cell_length_c 2.9163
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 134.144
_exptl_crystal_density_diffrn      4.089
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
V   0.08872   0.14280   0.25000   0.76200   0.02150
Fe   0.40750   0.05950   0.25000   0.19600   0.01160
Al   0.40750   0.05950   0.25000   0.03000   0.01160
O1   0.10110  -0.24630   0.25000   1.00000   0.02410
O2  -0.22780  -0.01470   0.25000   1.00000   0.02370