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 'Pyrobelonite'
loop_
_publ_author_name
'Donaldson D M'
'Barnes W H'
_journal_name_full 'American Mineralogist'
_journal_volume 40
_journal_year 1955
_journal_page_first 580
_journal_page_last 596
_publ_section_title
;
 The structures of the minerals of the descloizite and adelite groups: II -
 pyrobelonite.
;
_database_code_amcsd 71
_chemical_formula_sum 'Pb Mn V O7 H'
_cell_length_a 7.663
_cell_length_b 6.191
_cell_length_c 9.522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 451.739
_exptl_crystal_density_diffrn  6.265
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-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_U_iso_or_equiv
Pb   0.1341  0.25  0.1776  0.01267
Mn   0.0  0.0  0.5  0.0076
V   0.3654  0.75  0.3128  0.01013
O1   0.184  0.75  0.437  2.0
O2   0.54  0.75  0.408  2.0
O3   0.371  0.513  0.209  2.0
O4   0.371  0.987  0.209  2.0
O-H   0.139  0.25  0.417  2.0