data_global
_chemical_name_mineral 'Lyonsite'
loop_
_publ_author_name
'Hughes J M'
'Starkey S J'
'Malinconico M L'
'Malinconico L L'
_journal_name_full 'American Mineralogist'
_journal_volume 72 
_journal_year 1987
_journal_page_first 1000
_journal_page_last 1005
_publ_section_title
;
 Lyonsite, Cu3Fe4(VO4)6, a new fumarolic sublimate from Izalco
 volcano, El Salvador: Descriptive mineralogy and crystal structure
;
_database_code_amcsd 0001127
_chemical_formula_sum 'Cu1.59 Fe2 V3 O12'
_cell_length_a 10.296
_cell_length_b 17.207
_cell_length_c 4.910
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 869.872
_exptl_crystal_density_diffrn      4.257
_symmetry_space_group_name_H-M 'P m c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1   0.75000   0.74970   0.90800   0.59000
Cu2   0.25000   0.82189   0.21130   1.00000
Fe   0.42409   0.97289   0.24760   1.00000
V1   0.25000   0.05727  -0.22930   1.00000
V2   0.47160   0.84431   0.72080   1.00000
O1   0.61290   0.79590   0.65850   1.00000
O2   0.38590   0.87390   0.42450   1.00000
O3   0.25000   0.99400   0.05300   1.00000
O4   0.38490   0.03580   0.57470   1.00000
O5   0.50540   0.92720   0.91300   1.00000
O6   0.75000   0.65310   0.65600   1.00000
O7   0.37660   0.79170  -0.07380   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
Cu1 0.00913 0.00960 0.08671 0.00000 0.00000 0.01113
Cu2 0.01176 0.02265 0.01600 0.00000 0.00000 -0.01669
Fe 0.00730 0.00510 0.00537 0.00063 -0.00051 -0.00086
V1 0.01396 0.01230 0.01014 0.00000 0.00000 0.00257
V2 0.01026 0.01005 0.00892 0.00350 -0.00051 -0.00043
O1 0.01772 0.01050 0.01588 0.00269 0.00256 0.00257
O2 0.01396 0.01350 0.01099 -0.00449 -0.00512 -0.00770
O3 0.02363 0.01950 0.01343 0.00000 0.00000 -0.00428
O4 0.02739 0.01500 0.01343 -0.00808 0.01024 -0.00728
O5 0.01343 0.01350 0.01343 0.00269 0.00256 0.00556
O6 0.01772 0.02250 0.01466 0.00000 0.00000 0.00428
O7 0.01826 0.01500 0.01466 0.00987 0.00512 -0.00428