data_global
_chemical_name_mineral 'Zavaliaite'
loop_
_publ_author_name
'Hatert F'
'Roda-Robles E'
'de Parseval P'
'Wouters J'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 50 
_journal_year 2012
_journal_page_first 1445
_journal_page_last 1452
_publ_section_title
;
 Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from
 La Empleada pegmatite, San Luis Province, Argentina
;
_database_code_amcsd 0019769
_chemical_compound_source 'La Empleada pegmatite, San Luis Province, Argentina'
_chemical_formula_sum 'Fe.85 Mg.49 Mn1.66 P2 O8'
_cell_length_a 6.088
_cell_length_b 4.814
_cell_length_c 10.484
_cell_angle_alpha 90
_cell_angle_beta 89.42
_cell_angle_gamma 90
_cell_volume 307.245
_exptl_crystal_density_diffrn      3.681
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
_atom_site_U_iso_or_equiv
Fe2+M1   0.50000   0.00000   0.50000   0.85000   0.00950
MgM1   0.50000   0.00000   0.50000   0.15000   0.00950
Mn2+M2   0.26410   0.01290   0.78228   0.83000   0.00960
MgM2   0.26410   0.01290   0.78228   0.17000   0.00960
P   0.23890  -0.43170   0.59960   1.00000   0.00800
O1   0.21830   0.25190   0.60440   1.00000   0.01080
O2   0.24680  -0.31740   0.46300   1.00000   0.01170
O3   0.03250  -0.28220   0.66040   1.00000   0.01040
O4   0.56990   0.32620   0.31930   1.00000   0.01220
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
Fe2+M1 0.01240 0.00710 0.00910 0.00050 -0.00210 0.00010
MgM1 0.01240 0.00710 0.00910 0.00050 -0.00210 0.00010
Mn2+M2 0.01020 0.01050 0.00830 0.00010 -0.00020 -0.00050
MgM2 0.01020 0.01050 0.00830 0.00010 -0.00020 -0.00050
P 0.00910 0.00680 0.00800 0.00040 -0.00120 -0.00040
O1 0.01300 0.00900 0.01100 0.00000 -0.00100 -0.00100
O2 0.01600 0.01300 0.00600 0.00000 -0.00100 -0.00100
O3 0.01200 0.00800 0.01200 0.00000 0.00300 -0.00100
O4 0.01200 0.01200 0.01200 0.00000 -0.00400 -0.00400