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 'Yedlinite'
loop_
_publ_author_name
'Wood M M'
'McLean W J'
'Laughon R B'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 1160
_journal_page_last 1165
_publ_section_title
;
 The crystal structure and composition of yedlinite
;
_database_code_amcsd 428
_chemical_formula_sum 'Pb6 Cl6 Cr O8 H4'
_cell_length_a 12.868
_cell_length_b 12.868
_cell_length_c 9.821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 1408.343
_exptl_crystal_density_diffrn  5.801
_symmetry_space_group_name_H-M 'R -3 '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb   0.1829  0.1379  0.2121  0.02875
Cl   0.0869  0.2886  0.105  0.0271
Cr   0.0  0.0  0.5  0.0076
O   0.133  0.091  0.604  0.0266
Wat   0.0  0.0  0.108  0.04559