Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

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

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CIF Text:


data_global
_chemical_name_mineral 'Parisite-(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 60
_chemical_formula_sum 'Ce2 Ca C O3 F2'
_cell_length_a 7.12
_cell_length_b 7.12
_cell_length_c 84.1
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 3692.211
_exptl_crystal_density_diffrn  3.386
_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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ce1   0.333333  0.0  0.0
Ce2   0.333333  0.0  0.108
Ce3   0.333333  0.0  0.167
Ce4   0.333333  0.0  0.275
Ca1   0.333333  0.0  0.054
Ca2   0.333333  0.0  0.221
C1   0.245  0.333333  0.138
C2   0.245  0.333333  0.304
O1   0.067  0.333333  0.138
O2   0.067  0.333333  0.304
O3   0.333333  0.333333  0.124
O4   0.333333  0.333333  0.151
O5   0.333333  0.333333  0.291
O6   0.333333  0.333333  0.317
F1   0.0  0.0  0.0
F2   0.0  0.0  0.333333
F3   0.0  0.0  0.666667
F4   0.0  0.0  0.108
F5   0.0  0.0  0.441
F6   0.0  0.0  0.775
F7   0.0  0.0  0.167
F8   0.0  0.0  0.5
F9   0.0  0.0  0.834
F10   0.0  0.0  0.275
F11   0.0  0.0  0.608
F12   0.0  0.0  0.942