Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Search the American Mineralogist Crystal Structures
(example: hem*)
(example: O, Fe, Si)

Generate XAS Input File

CIF Text:


data_global
_chemical_name_mineral 'Brackebuschite'
loop_
_publ_author_name
'Donaldson D M'
'Barnes W H'
_journal_name_full 'American Mineralogist'
_journal_volume 40
_journal_year 1955
_journal_page_first 597
_journal_page_last 613
_publ_section_title
;
 The structures of the minerals of the descloizite and adelite groups:
 III - brackebuschite
;
_database_code_amcsd 72
_chemical_formula_sum 'Pb2 V2 Mn O8'
_cell_length_a 7.681
_cell_length_b 6.155
_cell_length_c 16.524
_cell_angle_alpha 90.0
_cell_angle_beta 93.75
_cell_angle_gamma 90.0
_cell_volume 779.525
_exptl_crystal_density_diffrn  5.958
_symmetry_space_group_name_H-M 'B 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1   0.1149  0.25  0.3745  0.02406
Pb2   0.6233  0.25  0.2989  0.02406
V1   0.6462  0.25  0.0865  0.00633
V2   0.1233  0.25  0.1644  0.00633
Mn   0.0  0.0  0.0  0.019
O1   0.114  0.023  0.104  2.0
O2   0.941  0.25  0.23  2.0
O3   0.299  0.25  0.247  2.0
O4   0.632  0.023  0.145  2.0
O5   0.455  0.25  0.017  2.0
O6   0.846  0.25  0.024  2.0