data_global
_chemical_name_mineral 'Ferri-ghoseite'
loop_
_publ_author_name
'Oberti R'
'Ghose S'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 5
_journal_year 1993
_journal_page_first 1153
_journal_page_last 1160
_publ_section_title
;
Crystal-chemistry of a complex Mn-bearing alkali amphibole
("tirodite") on the verge of exsolution
;
_database_code_amcsd 0006506
_chemical_formula_sum 'Na1.168 K.03 Fe.72 Mg4.008 Li.06 Mn.948 Ca.388 Si7.88 Al.11 O23.6 F.4 H1.6'
_cell_length_a 9.704
_cell_length_b 17.990
_cell_length_c 5.297
_cell_angle_alpha 90
_cell_angle_beta 103.51
_cell_angle_gamma 90
_cell_volume 899.136
_exptl_crystal_density_diffrn 3.120
_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
NaA 0.00000 0.50000 0.00000 0.10000 0.07966
KA 0.00000 0.50000 0.00000 0.01000 0.07966
NaAm 0.05590 0.50000 0.12010 0.10000 0.03230
KAm 0.05590 0.50000 0.12010 0.01000 0.03230
FeM1 0.00000 0.08810 0.50000 0.14400 0.00760
MgM1 0.00000 0.08810 0.50000 0.76800 0.00760
LiM1 0.00000 0.08810 0.50000 0.01200 0.00760
MnM1 0.00000 0.08810 0.50000 0.07600 0.00760
FeM2 0.00000 0.18020 0.00000 0.14400 0.00684
MgM2 0.00000 0.18020 0.00000 0.76800 0.00684
LiM2 0.00000 0.18020 0.00000 0.01200 0.00684
MnM2 0.00000 0.18020 0.00000 0.07600 0.00684
FeM3 0.00000 0.00000 0.00000 0.14400 0.00697
MgM3 0.00000 0.00000 0.00000 0.76800 0.00697
LiM3 0.00000 0.00000 0.00000 0.01200 0.00697
MnM3 0.00000 0.00000 0.00000 0.07600 0.00697
CaM4 0.00000 0.27170 0.50000 0.09700 0.01722
NaM4 0.00000 0.27170 0.50000 0.21700 0.01722
MnM4 0.00000 0.27170 0.50000 0.14200 0.01722
MgM4 0.00000 0.27170 0.50000 0.04200 0.01722
CaM4* 0.00000 0.25980 0.50000 0.09700 0.00912
NaM4* 0.00000 0.25980 0.50000 0.21700 0.00912
MnM4* 0.00000 0.25980 0.50000 0.14200 0.00912
MgM4* 0.00000 0.25980 0.50000 0.04200 0.00912
SiT1 0.28330 0.08500 0.28840 0.98500 0.00570
AlT1 0.28330 0.08500 0.28840 0.01370 0.00570
SiT2 0.29120 0.17070 0.79640 0.98500 0.00633
AlT2 0.29120 0.17070 0.79640 0.01370 0.00633
O1 0.11260 0.08690 0.21310 1.00000 0.00073
O2 0.11970 0.17050 0.72750 1.00000 0.00887
O3 0.11020 0.00000 0.71080 0.80000 0.00937
F 0.11020 0.00000 0.71080 0.20000 0.00937
O4 0.36700 0.24890 0.79020 1.00000 0.01241
O5 0.34970 0.13120 0.08100 1.00000 0.01064
O6 0.34500 0.11940 0.57690 1.00000 0.01127
O7 0.33980 0.00000 0.28890 1.00000 0.01153
H 0.19360 0.00000 0.75260 0.80000 0.01659
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
NaA 0.05457 0.13117 0.07391 0.00000 0.05761 0.00000
KA 0.05457 0.13117 0.07391 0.00000 0.05761 0.00000
NaAm 0.03157 0.03279 0.03790 0.00000 0.01797 0.00000
KAm 0.03157 0.03279 0.03790 0.00000 0.01797 0.00000
FeM1 0.00902 0.00820 0.00632 0.00000 0.00271 0.00000
MgM1 0.00902 0.00820 0.00632 0.00000 0.00271 0.00000
LiM1 0.00902 0.00820 0.00632 0.00000 0.00271 0.00000
MnM1 0.00902 0.00820 0.00632 0.00000 0.00271 0.00000
FeM2 0.00677 0.00820 0.00632 0.00000 0.00197 0.00000
MgM2 0.00677 0.00820 0.00632 0.00000 0.00197 0.00000
LiM2 0.00677 0.00820 0.00632 0.00000 0.00197 0.00000
MnM2 0.00677 0.00820 0.00632 0.00000 0.00197 0.00000
FeM3 0.00947 0.00492 0.00605 0.00000 0.00197 0.00000
MgM3 0.00947 0.00492 0.00605 0.00000 0.00197 0.00000
LiM3 0.00947 0.00492 0.00605 0.00000 0.00197 0.00000
MnM3 0.00947 0.00492 0.00605 0.00000 0.00197 0.00000
CaM4 0.01714 0.02131 0.01586 0.00000 0.01034 0.00000
NaM4 0.01714 0.02131 0.01586 0.00000 0.01034 0.00000
MnM4 0.01714 0.02131 0.01586 0.00000 0.01034 0.00000
MgM4 0.01714 0.02131 0.01586 0.00000 0.01034 0.00000
SiT1 0.00586 0.00492 0.00524 0.00000 0.00098 0.00000
AlT1 0.00586 0.00492 0.00524 0.00000 0.00098 0.00000
SiT2 0.00677 0.00656 0.00551 -0.00086 0.00098 0.00000
AlT2 0.00677 0.00656 0.00551 -0.00086 0.00098 0.00000
O1 0.00631 0.00984 0.00672 -0.00086 0.00148 -0.00094
O2 0.00902 0.00984 0.00806 0.00000 0.00197 -0.00047
O3 0.00857 0.00984 0.00941 0.00000 0.00271 0.00000
F 0.00857 0.00984 0.00941 0.00000 0.00271 0.00000
O4 0.01443 0.00984 0.01263 -0.00430 0.00123 0.00141
O5 0.00857 0.01476 0.00887 -0.00086 0.00246 0.00469
O6 0.00902 0.01640 0.00833 0.00000 0.00098 -0.00422
O7 0.01082 0.00656 0.01787 0.00000 0.00345 0.00000