Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Search the American Mineralogist Crystal Structures
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CIF Text:


data_global
_chemical_name_mineral 'Sinnerite'
loop_
_publ_author_name
'Makovicky E'
'Skinner B J'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 998
_journal_page_last 1012
_publ_section_title
;
 Studies of the sulfosalts of copper. IV. Structure and twinning of sinnerite,
 Cu6As4S9
;
_database_code_amcsd 475
_chemical_formula_sum 'As4 Cu6 S9'
_cell_length_a 9.064
_cell_length_b 9.83
_cell_length_c 9.078
_cell_angle_alpha 90.0
_cell_angle_beta 109.5
_cell_angle_gamma 107.8
_cell_volume 721.242
_exptl_crystal_density_diffrn  4.464
_symmetry_space_group_name_H-M 'P 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1   0.123  0.012  0.061
As2   0.318  0.18  0.401
As3   0.874  0.014  0.259
As4   0.156  0.827  0.348
As5   0.451  0.594  0.51
As6   0.663  0.789  0.868
As7   0.233  0.59  0.714
As8   0.545  0.432  0.835
Cu1   0.962  0.623  0.943
Cu2   0.426  0.788  0.099
Cu3   0.569  0.178  0.146
Cu4   0.307  0.415  0.068
Cu5   0.838  0.21  0.96
Cu6   0.915  0.822  0.614
Cu7   0.356  0.984  0.749
Cu8   0.069  0.213  0.665
Cu9   0.032  0.375  0.347
Cu10   0.795  0.386  0.564
Cu11   0.598  0.966  0.494
Cu12   0.72  0.602  0.185
S2   0.332  0.191  0.681
S3   0.833  0.994  0.536
S4   0.186  0.777  0.603
S6   0.653  0.826  0.104
S7   0.222  0.597  0.94
S8   0.539  0.401  0.096
S9   0.997  0.584  0.237
S10   0.426  0.797  0.338
S11   0.588  0.165  0.428
S12   0.26  0.416  0.342
S13   0.831  0.184  0.174
S14   0.903  0.824  0.864
S15   0.376  0.969  0.982
S16   0.014  0.169  0.881
S17   0.028  0.385  0.615
S18   0.796  0.385  0.872
S19   0.582  0.959  0.719
S20   0.722  0.595  0.48
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]