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 'Palermoite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 460
_journal_page_last 465
_publ_section_title
;
 Palermoite, SrLi2[Al4(OH)4(PO4)4]: Its atomic arrangement and relationship to
 carminite, Pb2[Fe4(OH)4(AsO4)4]
;
_database_code_amcsd 463
_chemical_compound_source 'Palermo pegmatite, near North Groton, New Hampshire, USA'
_chemical_formula_sum 'Sr Li2 Al4 P4 O20 H4'
_cell_length_a 11.556
_cell_length_b 15.847
_cell_length_c 7.315
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 1339.581
_exptl_crystal_density_diffrn  3.259
_symmetry_space_group_name_H-M 'I m c b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+x,y,-z'
  '+x,1/2+y,1/2-z'
  '1/2-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Sr   0.25  0.5  0.5  0.01013
Li   0.5  0.2851  0.2723  0.02786
Al   0.1307  0.3727  0.1374  0.00709
P   0.25  0.2922  0.5  0.0057
O1   0.1438  0.2632  0.0387  0.0095
O2   0.2257  0.3515  0.3389  0.00747
P2   0.0  0.4576  0.7731  0.00633
O3   0.0  0.3993  0.6107  0.01241
O4   0.0  0.4014  0.9502  0.00963
O5   0.1083  0.4857  0.2275  0.00874
O-H1   0.0  0.3363  0.2606  0.00785
O-H2   0.25  0.4117  0.0  0.01102
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]