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
 titanclinohumite
;
_database_code_amcsd 301
_chemical_formula_sum 'Mg8.42 Fe.58 Si4 O18 H2'
_cell_length_a 4.7441
_cell_length_b 10.2501
_cell_length_c 13.6635
_cell_angle_alpha 100.786
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 652.683
_exptl_crystal_density_diffrn  3.253
_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  0.9  0.00519
Fe1c   0.5  0.0  0.5  0.1  0.00519
Mg1n   0.4977  0.9463  0.2738  0.91  0.00519
Fe1n   0.4977  0.9463  0.2738  0.09  0.00519
Mg25   0.0101  0.1398  0.1703  0.97  0.00519
Fe25   0.0101  0.1398  0.1703  0.03  0.00519
Mg26   0.5101  0.2503  0.3888  0.88  0.00532
Fe26   0.5101  0.2503  0.3888  0.12  0.00532
Mg3   0.4939  0.878  0.0428  1.0  0.0057
Si1   0.0741  0.0663  0.3891  1.0  0.00228
Si2   0.0759  0.1771  0.8354  1.0  0.00266
O11   0.7315  0.0633  0.3871  1.0  0.00469
O12   0.2832  0.4211  0.3877  1.0  0.00735
O13   0.2192  0.113  0.2936  1.0  0.00532
O14   0.2188  0.1586  0.4853  1.0  0.00659
O21   0.2353  0.3218  0.161  1.0  0.00684
O22   0.7802  0.9483  0.1619  1.0  0.0038
O23   0.7255  0.2803  0.2625  1.0  0.00431
O24   0.7296  0.2262  0.0699  1.0  0.00367
O-H   0.2629  0.0453  0.0558  1.0  0.00899