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 'Tremolite'
loop_
_publ_author_name
'Cameron M'
'Gibbs G V'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 879
_journal_page_last 888
_publ_section_title
;
 The crystal structure and bonding of fluor-tremolite: A comparison with hydroxyl
 tremolite
;
_database_code_amcsd 384
_chemical_formula_sum 'Si8 Mg5 Ca2 O22 F2'
_cell_length_a 9.787
_cell_length_b 18.004
_cell_length_c 5.263
_cell_angle_alpha 90.0
_cell_angle_beta 104.44
_cell_angle_gamma 90.0
_cell_volume 898.071
_exptl_crystal_density_diffrn  3.019
_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
Si1   0.2829  0.0834  0.296
Si2   0.29  0.1707  0.8041
Mg1   0.0  0.0885  0.5
Mg2   0.0  0.176  0.0
Mg3   0.0  0.0  0.0
Ca4   0.0  0.2771  0.5
O1   0.1126  0.0847  0.2179
O2   0.1187  0.1702  0.7239
F3   0.102  0.0  0.7124
O4   0.3644  0.2484  0.7907
O5   0.3471  0.1351  0.1001
O6   0.3444  0.1197  0.5857
O7   0.3408  0.0  0.2922
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
Si1   0.00396  0.00427  0.00338  -0.00052  0.00174  0.00046
Si2   0.00387  0.00608  0.00271  -0.00043  -0.00017  0.00051
Mg1   0.00428  0.0069  0.00407  0.0  -0.00044  0.0
Mg2   0.00897  0.00657  0.00537  0.0  0.00247  0.0
Mg3   0.00478  0.00394  0.00644  0.0  0.00046  0.0
Ca4   0.01133  0.01084  0.00895  0.0  0.00641  0.0
O1   0.00537  0.00624  0.00659  0.00078  0.00022  5e-05
O2   0.00956  0.00805  0.00503  -9e-05  0.00232  -0.00084
F3   0.00555  0.01166  0.00763  0.0  0.00215  0.0
O4   0.0076  0.0069  0.0075  -0.0019  0.00117  -0.0013
O5   0.00883  0.00657  0.0075  0.00104  0.00098  0.00335
O6   0.00446  0.01215  0.00553  0.00207  7e-05  -0.00019
O7   0.01028  0.01149  0.01163  0.0  0.00573  0.0