data_global
_chemical_name_mineral 'Arfvedsonite'
loop_
_publ_author_name
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 14 
_journal_year 1976
_journal_page_first 346
_journal_page_last 356
_publ_section_title
;
 The crystal chemistry of the amphiboles: V. The structure and
 chemistry of arfvedsonite
;
_database_code_amcsd 0005126
_chemical_formula_sum 'Si7.84 Al.306 Fe4.52 Ti.094 Mn.13 Mg.11 Na2.428 Ca.158 K1.414 O24 H2'
_cell_length_a 10.007
_cell_length_b 18.077
_cell_length_c 5.332
_cell_angle_alpha 90
_cell_angle_beta 104.101
_cell_angle_gamma 90
_cell_volume 935.477
_exptl_crystal_density_diffrn      3.545
_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   0.27380   0.08618   0.29170   0.96000 ?
AlT1   0.27380   0.08618   0.29170   0.04000 ?
SiT2   0.28640   0.17104   0.80180   1.00000 ?
FeM1   0.00000   0.09205   0.50000   1.00000 ?
FeM2   0.00000   0.18443   0.00000   0.88000 ?
AlM2   0.00000   0.18443   0.00000   0.07300 ?
TiM2   0.00000   0.18443   0.00000   0.04700 ?
FeM3   0.00000   0.00000   0.00000   0.76000 ?
MnM3   0.00000   0.00000   0.00000   0.13000 ?
MgM3   0.00000   0.00000   0.00000   0.11000 ?
NaM4   0.00000   0.27790   0.50000   0.92100 ?
CaM4   0.00000   0.27790   0.50000   0.07900 ?
NaAm   0.01720   0.50000   0.04020   0.29300   0.01621
KAm   0.01720   0.50000   0.04020   0.70700   0.01621
O1   0.10960   0.09140   0.20820   1.00000 ?
O2   0.12010   0.17310   0.73320   1.00000 ?
O-H3   0.10740   0.00000   0.70670   1.00000 ?
O4   0.36430   0.24730   0.79840   1.00000 ?
O5   0.34400   0.12730   0.08270   1.00000 ?
O6   0.33630   0.11720   0.58410   1.00000 ?
O7   0.32620   0.00000   0.29880   1.00000 ?
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
SiT1 0.00692 0.00579 0.00507 -0.00027 0.00201 0.00062
AlT1 0.00692 0.00579 0.00507 -0.00027 0.00201 0.00062
SiT2 0.00773 0.00596 0.00497 -0.00089 0.00201 0.00000
FeM1 0.01002 0.00861 0.00688 0.00000 0.00325 0.00000
FeM2 0.00897 0.00695 0.00740 0.00000 0.00224 0.00000
AlM2 0.00897 0.00695 0.00740 0.00000 0.00224 0.00000
TiM2 0.00897 0.00695 0.00740 0.00000 0.00224 0.00000
FeM3 0.01102 0.00695 0.00679 0.00000 0.00221 0.00000
MnM3 0.01102 0.00695 0.00679 0.00000 0.00221 0.00000
MgM3 0.01102 0.00695 0.00679 0.00000 0.00221 0.00000
NaM4 0.01823 0.01424 0.01717 0.00000 0.01045 0.00000
CaM4 0.01823 0.01424 0.01717 0.00000 0.01045 0.00000
O1 0.00697 0.01208 0.00828 0.00018 0.00211 -0.00052
O2 0.01212 0.01043 0.01123 0.00071 0.00257 0.00128
O-H3 0.00964 0.01043 0.00793 0.00000 0.00201 0.00000
O4 0.01613 0.00960 0.01012 -0.00400 0.00567 -0.00076
O5 0.00988 0.01159 0.00826 -0.00027 0.00529 0.00365
O6 0.01398 0.01076 0.00633 0.00027 0.00244 -0.00369
O7 0.01484 0.00546 0.01681 0.00000 0.00577 0.00000