Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Search the American Mineralogist Crystal Structures
(example: hem*)
(example: O, Fe, Si)

Generate XAS Input File

CIF Text:


data_global
_chemical_name_mineral 'Pargasite'
loop_
_publ_author_name
'Jenkins D M'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 33
_journal_year 1995
_journal_page_first 13
_journal_page_last 24
_publ_section_title
;
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 9-1
;
_database_code_amcsd 5421
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Si7.04 Ga1.28 Mg4.82 Ca1.8 Na.46 O22 F2'
_cell_length_a 9.862
_cell_length_b 18.025
_cell_length_c 5.293
_cell_angle_alpha 90.0
_cell_angle_beta 104.924
_cell_angle_gamma 90.0
_cell_volume 909.159
_exptl_crystal_density_diffrn  3.203
_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
_atom_site_U_iso_or_equiv
SiT1   0.2857  0.0847  0.3056  0.81  0.00507
GaT1   0.2857  0.0847  0.3056  0.19  0.00507
SiT2   0.2898  0.1699  0.8065  0.95  0.00507
GaT2   0.2898  0.1699  0.8065  0.05  0.00507
MgM1   0.0  0.0858  0.5  0.98  0.0076
MgM2   0.0  0.1786  0.0  0.84  0.0076
GaM2   0.0  0.1786  0.0  0.16  0.0076
MgM3   0.0  0.0  0.0  0.98  0.0076
CaM4   0.0  0.2784  0.5  0.9  0.0114
MgM4   0.0  0.2784  0.5  0.1  0.0114
NaA   0.0  0.5  0.0  0.46  0.02913
O1   0.1135  0.0867  0.2164  1.0  0.01013
O2   0.1102  0.1735  0.7288  1.0  0.01013
F3   0.1027  0.0  0.7125  1.0  0.01013
O4   0.3519  0.2479  0.7776  1.0  0.01013
O5   0.3516  0.137  0.0886  1.0  0.01267
O6   0.3456  0.1155  0.6055  1.0  0.01267
O7   0.3483  0.0  0.2935  1.0  0.0152