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 'Bastnasite-(Ce)'
loop_
_publ_author_name
'Donnay G'
'Donnay J D H'
_journal_name_full 'American Mineralogist'
_journal_volume 38
_journal_year 1953
_journal_page_first 932
_journal_page_last 963
_publ_section_title
;
 The crystallography of bastnaesite, parasite, roentgenite, and synchisite
;
_database_code_amcsd 59
_chemical_formula_sum 'Ce C O3 F'
_cell_length_a 7.16
_cell_length_b 7.16
_cell_length_c 9.79
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 434.65
_exptl_crystal_density_diffrn  5.023
_symmetry_space_group_name_H-M 'P -6 2 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  '-x+y,-x,1/2-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,x-y,1/2-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ce   0.333333  0.0  0.0
C   0.245  0.333333  0.25
O1   0.067  0.333333  0.25
O2   0.333333  0.333333  0.138
F1   0.0  0.0  0.0
F2   0.333333  0.666667  0.0