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 'Cuprosklodowskite'
loop_
_publ_author_name
'Rosenzweig A'
'Ryan R R'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 448
_journal_page_last 453
_publ_section_title
;
 Refinement of the crystal structure of cuprosklodowskite,
 Cu[(UO2)2(SiO3OH)2]*6(H2O)
 Note: y(U) was changed to reproduce reported bond lengths
;
_database_code_amcsd 461
_chemical_compound_source 'Musonoi mine, Kolwezi, Katanga, Zaire'
_chemical_formula_sum 'U2 Cu Si2 O18 H12'
_cell_length_a 7.052
_cell_length_b 9.267
_cell_length_c 6.655
_cell_angle_alpha 109.2
_cell_angle_beta 89.8
_cell_angle_gamma 110.0
_cell_volume 383.028
_exptl_crystal_density_diffrn  3.884
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
U   0.2589  0.021  0.6397
Cu   0.5  0.5  0.0
Si   0.7735  0.0526  0.8573
O1   0.353  0.235  0.699
O2   0.838  0.193  0.416
O3   0.588  0.024  0.692
O4   0.932  0.018  0.69
O5   0.863  0.248  0.021
O6   0.72  0.94  0.002
Wat7   0.465  0.374  0.193
Wat8   0.231  0.513  0.052
Wat9   0.201  0.482  0.499
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
U   0.00898  0.02058  0.00532  0.0155  0.00395  0.01006
Cu   0.03462  0.02666  0.03508  0.01659  0.00935  0.02553
Si   0.01512  0.02295  0.00769  0.01713  0.00623  0.01109
O1   0.02082  0.03408  0.01991  0.02094  0.00478  0.03172
O2   0.016  0.04589  0.0203  0.03535  0.00935  0.03378
O3   0.02147  0.04218  0.00512  0.03997  0.01372  0.02295
O4   0.01315  0.03645  0.0071  0.02828  0.00852  0.02012
O5   0.04382  0.02835  0.01596  0.03209  0.00852  0.01547
O6   0.01643  0.0297  0.00572  0.02447  0.00478  0.01032
Wat7   0.05434  0.02497  0.02838  0.00489  -0.00831  0.01367
Wat8   0.039  0.04421  0.11313  0.04079  0.04281  0.07427
Wat9   0.05609  0.05838  0.06189  0.02556  0.01081  0.03198