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 'Hydroxylclinohumite'
loop_
_publ_author_name
'Robinson K'
'Gibbs G V'
'Ribbe P H'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 43
_journal_page_last 49
_publ_section_title
;
 The crystal structures of the humite minerals. IV. Clinohumite and
 titanoclinohumite
;
_database_code_amcsd 302
_chemical_formula_sum '(Mg7.44 Fe1.09 Ti.47) Si4 O18 H2'
_cell_length_a 4.7451
_cell_length_b 10.288
_cell_length_c 13.709
_cell_angle_alpha 101.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 656.945
_exptl_crystal_density_diffrn  3.37
_symmetry_space_group_name_H-M 'P 21/b 1 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mg1c   0.5  0.0  0.5  0.86  0.00633
Fe1c   0.5  0.0  0.5  0.09  0.00633
Ti1c   0.5  0.0  0.5  0.05  0.00633
Mg1n   0.4967  0.9461  0.2744  0.84  0.00595
Fe1n   0.4967  0.9461  0.2744  0.1  0.00595
Ti1n   0.4967  0.9461  0.2744  0.06  0.00595
Mg25   0.0143  0.1403  0.1699  0.85  0.00621
Fe25   0.0143  0.1403  0.1699  0.1  0.00621
Ti25   0.0143  0.1403  0.1699  0.05  0.00621
Mg26   0.5106  0.2508  0.3878  0.85  0.0057
Fe26   0.5106  0.2508  0.3878  0.1  0.0057
Ti26   0.5106  0.2508  0.3878  0.05  0.0057
Mg3   0.4956  0.8837  0.0409  0.75  0.00659
Fe3   0.4956  0.8837  0.0409  0.2  0.00659
Ti3   0.4956  0.8837  0.0409  0.05  0.00659
Si1   0.0727  0.0667  0.39  1.0  0.00329
Si2   0.0762  0.1764  0.8351  1.0  0.00317
O11   0.7315  0.065  0.3876  1.0  0.00912
O12   0.2811  0.4207  0.387  1.0  0.00608
O13   0.221  0.113  0.2936  1.0  0.00608
O14   0.2188  0.1594  0.4859  1.0  0.00785
O21   0.2359  0.323  0.1629  1.0  0.00583
O22   0.7785  0.968  0.163  1.0  0.00849
O23   0.7236  0.2793  0.261  1.0  0.00735
O34   0.7247  0.2294  0.0679  1.0  0.00823
O-H   0.2565  0.0439  0.054  1.0  0.00811