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
_amcsd_formula_title 'RbFeSi3O8'
loop_
_publ_author_name
'Brunton G D'
'Harris L A'
'Kopp O C'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 1720
_journal_page_last 1728
_publ_section_title
;
 Crystal structure of a rubidium iron feldspar
;
_database_code_amcsd 297
_chemical_formula_sum 'Rb (Si2.912 Fe1.088) O8'
_cell_length_a 8.952
_cell_length_b 13.127
_cell_length_c 7.359
_cell_angle_alpha 90.05
_cell_angle_beta 116.47
_cell_angle_gamma 89.35
_cell_volume 774.063
_exptl_crystal_density_diffrn  3.055
_symmetry_space_group_name_H-M 'C -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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1   0.29248  -0.00054  0.14784  1.0
Si1o   0.0071  -0.80854  0.219  0.513
Fe1o   0.0071  -0.80854  0.219  0.487
Si1m   0.0073  -0.19027  0.2228  0.611
Fe1m   0.0073  -0.19027  0.2228  0.389
Si2o   0.7202  -0.8808  0.3422  0.89
Fe2o   0.7202  -0.8808  0.3422  0.11
Si2m   0.7197  -0.1178  0.3443  0.898
Fe2m   0.7197  -0.1178  0.3443  0.102
OA1   0.6657  0.0008  0.2821  1.0
OA2   0.0002  -0.1482  0.0051  1.0
OBo   0.8217  -0.8422  0.2228  1.0
OBm   0.8242  -0.1576  0.2272  1.0
OCo   0.0467  -0.6799  0.2633  1.0
OCm   0.0458  -0.3172  0.2671  1.0
ODo   0.1736  -0.8749  0.4114  1.0
ODm   0.1702  -0.1264  0.4138  1.0
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
Rb1   0.02505  0.03072  0.02528  0.00085  0.01118  0.00692
Si1o   0.01756  0.01859  0.01605  0.00437  0.00882  0.00293
Fe1o   0.01756  0.01859  0.01605  0.00437  0.00882  0.00293
Si1m   0.01854  0.01981  0.01737  -0.00155  0.00936  -0.00333
Fe1m   0.01854  0.01981  0.01737  -0.00155  0.00936  -0.00333
Si2o   0.02212  0.01746  0.01561  0.0016  0.00829  -0.00044
Fe2o   0.02212  0.01746  0.01561  0.0016  0.00829  -0.00044
Si2m   0.02114  0.01667  0.01495  0.00213  0.00775  0.00131
Fe2m   0.02114  0.01667  0.01495  0.00213  0.00775  0.00131
OA1   0.05367  0.02008  0.02814  0.0016  0.00294  -0.00131
OA2   0.02212  0.0288  0.05012  -0.00213  0.01043  -0.00394
OBo   0.03773  0.04975  0.03847  -0.00266  0.02674  -0.0092
OBm   0.04326  0.04975  0.04683  0.00533  0.0361  0.01183
OCo   0.02927  0.0288  0.0255  -0.0016  0.01016  0.00131
OCm   0.02537  0.03055  0.02528  0.00213  0.00829  -0.0035
ODo   0.03155  0.02444  0.01583  0.00266  0.00722  0.00131
ODm   0.02927  0.02269  0.01627  0.0  0.00321  0.00088