data_global
_chemical_name_mineral 'Derbylite'
loop_
_publ_author_name
'Biagioni C'
'Bonaccorsi E'
'Perchiazzi N'
'Halenius U'
'Zaccarini F'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 84 
_journal_year 2020
_journal_page_first 766
_journal_page_last 777
_publ_section_title
;
 Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy:
 occurrence and crystal-chemistry
;
_database_code_amcsd 0020902
_chemical_compound_source 'Monte Arsiccio mine, Apuan Alps, Italy'
_chemical_formula_sum 'Ti3.072 Fe3.928 Sb O14 Ba.045 H'
_cell_length_a 7.1690
_cell_length_b 14.3515
_cell_length_c 4.9867
_cell_angle_alpha 90
_cell_angle_beta 104.820
_cell_angle_gamma 90
_cell_volume 495.994
_exptl_crystal_density_diffrn      4.816
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-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
TiM1   0.49648   0.25000   0.74815   0.32000   0.00760
FeM1   0.49648   0.25000   0.74815   0.68000   0.00760
FeM2   0.50351   0.13033   0.24692   1.00000   0.00774
FeM3   0.81023   0.05935   0.86972   0.29700   0.00704
TiM3   0.81023   0.05935   0.86972   0.70300   0.00704
FeM4   0.81636  -0.06277   0.37392   0.32700   0.00719
TiM4   0.81636  -0.06277   0.37392   0.67300   0.00719
SbA   0.07554   0.25000   0.04451   0.75390   0.01080
SbB   0.92230   0.25000   0.45700   0.24610   0.01080
O1   0.34680   0.25000   0.02960   1.00000   0.00880
O2   0.68000  -0.04488  -0.00900   1.00000   0.00690
O3   0.66280   0.15142  -0.02970   1.00000   0.00890
O4   0.00140   0.15077   0.75980   1.00000   0.00920
O5   0.00040   0.03653   0.25070   1.00000   0.00590
O6   0.68210   0.04397   0.48840   1.00000   0.00720
O7   0.33420   0.15141   0.51830   1.00000   0.00880
O-H8   0.64370   0.25000   0.45760   1.00000   0.00850
Ba   0.00050   0.25000   0.24750   0.04460   0.01140
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
TiM1 0.00820 0.00750 0.00730 0.00000 0.00240 0.00000
FeM1 0.00820 0.00750 0.00730 0.00000 0.00240 0.00000
FeM2 0.00760 0.00850 0.00730 -0.00002 0.00212 -0.00041
FeM3 0.00710 0.00750 0.00690 0.00140 0.00259 0.00049
TiM3 0.00710 0.00750 0.00690 0.00140 0.00259 0.00049
FeM4 0.00740 0.00810 0.00650 -0.00154 0.00249 -0.00058
TiM4 0.00740 0.00810 0.00650 -0.00154 0.00249 -0.00058
SbA 0.00699 0.00761 0.01690 0.00000 0.00137 0.00000
SbB 0.00699 0.00761 0.01690 0.00000 0.00137 0.00000
O1 0.00720 0.01040 0.00960 0.00000 0.00370 0.00000
O2 0.00710 0.00680 0.00680 -0.00110 0.00180 0.00070
O3 0.01120 0.00750 0.00820 0.00180 0.00290 -0.00050
O4 0.00890 0.00730 0.01230 -0.00050 0.00430 -0.00130
O5 0.00560 0.00810 0.00410 -0.00020 0.00110 0.00040
O6 0.00710 0.00800 0.00650 0.00190 0.00160 -0.00030
O7 0.00900 0.00810 0.00910 -0.00180 0.00220 0.00010
O-H8 0.00640 0.00990 0.01000 0.00000 0.00340 0.00000