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 'Annite'
loop_
_publ_author_name
'Hazen R M'
'Burnham C W'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 889
_journal_page_last 900
_publ_section_title
;
 The crystal structures of one-layer phlogopite and annite
;
_database_code_amcsd 386
_chemical_formula_sum 'Al1.282 Si2.808 Fe2.43 Ti.21 Mg.12 Mn.03 K.88 Na.07 Ca.03 O11.73 F.22 Cl.05 H1.38'
_cell_length_a 5.386
_cell_length_b 9.3241
_cell_length_c 10.2683
_cell_angle_alpha 90.0
_cell_angle_beta 100.63
_cell_angle_gamma 90.0
_cell_volume 506.82
_exptl_crystal_density_diffrn  3.25
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al   0.5703  0.1665  0.2246  0.298
Si   0.5703  0.1665  0.2246  0.702
Fe1   0.0  0.5  0.5  0.81
Ti1   0.0  0.5  0.5  0.07
Mg1   0.0  0.5  0.5  0.04
Mn1   0.0  0.5  0.5  0.01
Al1   0.0  0.5  0.5  0.03
Fe2   0.0  0.8332  0.5  0.81
Ti2   0.0  0.8332  0.5  0.07
Mg2   0.0  0.8332  0.5  0.04
Mn2   0.0  0.8332  0.5  0.01
Al2   0.0  0.8332  0.5  0.03
K   0.0  0.0  0.0  0.88
Na   0.0  0.0  0.0  0.07
Ca   0.0  0.0  0.0  0.03
O1   0.8031  0.2457  0.167  1.0
O2   0.5427  0.0  0.1684  1.0
O3   0.6291  0.1674  0.3894  1.0
O4   0.1239  0.0  0.3931  0.175
O-H   0.1239  0.0  0.3931  0.69
F   0.1239  0.0  0.3931  0.11
Cl   0.1239  0.0  0.3931  0.025
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al   0.01065  0.01057  0.01858  -0.00025  0.00433  -0.00048
Si   0.01065  0.01057  0.01858  -0.00025  0.00433  -0.00048
Fe1   0.00994  0.00793  0.02064  0.0  0.00595  0.0
Ti1   0.00994  0.00793  0.02064  0.0  0.00595  0.0
Mg1   0.00994  0.00793  0.02064  0.0  0.00595  0.0
Mn1   0.00994  0.00793  0.02064  0.0  0.00595  0.0
Al1   0.00994  0.00793  0.02064  0.0  0.00595  0.0
Fe2   0.00866  0.01233  0.02012  0.0  0.00379  0.0
Ti2   0.00866  0.01233  0.02012  0.0  0.00379  0.0
Mg2   0.00866  0.01233  0.02012  0.0  0.00379  0.0
Mn2   0.00866  0.01233  0.02012  0.0  0.00379  0.0
Al2   0.00866  0.01233  0.02012  0.0  0.00379  0.0
K   0.03932  0.04404  0.05985  0.0  0.00379  0.0
Na   0.03932  0.04404  0.08565  0.0  0.00379  0.0
Ca   0.03932  0.04404  0.08565  0.0  0.00379  0.0
O1   0.01987  0.03083  0.0258  -0.007  0.00677  -0.00048
O2   0.03024  0.01762  0.02838  0.0  0.00595  0.0
O3   0.01547  0.01542  0.02064  -0.001  0.0046  -0.00048
O4   0.01959  0.0163  0.02064  0.0  0.0046  0.0
O-H   0.01959  0.0163  0.02064  0.0  0.0046  0.0
F   0.01959  0.0163  0.02064  0.0  0.0046  0.0
Cl   0.01959  0.0163  0.02064  0.0  0.0046  0.0