data_global
_chemical_name_mineral 'Plimerite'
loop_
_publ_author_name
'Elliot P'
'Kolitsch U'
'Giester G'
'Libowitzky E'
'McCammon C'
'Pring A'
'Birch W D'
'Brugger J'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 73 
_journal_year 2009
_journal_page_first 131
_journal_page_last 148
_publ_section_title
;
 Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the
 Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia
;
_database_code_amcsd 0014590
_chemical_compound_source 'Broken Hill, New South Wales, Australia'
_chemical_formula_sum 'Fe5.6 Zn1.16 Al.24 P3 O18 H6'
_cell_length_a 13.865
_cell_length_b 16.798
_cell_length_c 5.151
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1199.690
_exptl_crystal_density_diffrn      4.330
_symmetry_space_group_name_H-M 'B b m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,1/2+y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-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
FeM1   0.00000   0.50000   0.00000   1.00000   0.00910
ZnM2   0.06888   0.65849   0.00000   0.58000   0.01680
FeM2   0.06888   0.65849   0.00000   0.42000   0.01680
FeM3   0.32193   0.63906   0.23230   0.94000   0.00870
AlM3   0.32193   0.63906   0.23230   0.06000   0.00870
P1   0.14325   0.54388   0.50000   1.00000   0.00960
P2   0.48312   0.75000   0.00000   1.00000   0.01200
O1   0.54640   0.75000  -0.24790   1.00000   0.02010
O2   0.08110   0.55837   0.25620   1.00000   0.01510
O-H3   0.31470   0.75000   0.38010   1.00000   0.01440
O4   0.18130   0.45950   0.50000   1.00000   0.02780
O-H5   0.21540   0.67450   0.00000   1.00000   0.01980
O-H6   0.07490   0.39470   0.00000   1.00000   0.01370
O7   0.42110   0.67450   0.00000   1.00000   0.01600
O8   0.22380   0.60630   0.50000   1.00000   0.01260
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
FeM1 0.00950 0.00740 0.01030 0.00000 0.00000 -0.00040
ZnM2 0.01580 0.00860 0.02590 0.00000 0.00000 -0.00050
FeM2 0.01580 0.00860 0.02590 0.00000 0.00000 -0.00050
FeM3 0.00950 0.00680 0.00970 0.00010 0.00140 -0.00070
AlM3 0.00950 0.00680 0.00970 0.00010 0.00140 -0.00070
P1 0.00910 0.00560 0.01410 0.00000 0.00000 -0.00040
P2 0.01120 0.00720 0.01760 0.00000 0.00000 0.00000
O1 0.02000 0.01460 0.02500 0.00000 0.01230 0.00000
O2 0.01460 0.01890 0.01170 0.00040 -0.00380 -0.00500
O-H3 0.01900 0.00800 0.01600 0.00000 0.00800 0.00000
O4 0.01900 0.00820 0.05600 0.00000 0.00000 0.00420
O-H5 0.01390 0.00990 0.03600 0.00000 0.00000 0.00250
O-H6 0.01310 0.01510 0.01310 0.00000 0.00000 0.00340
O7 0.01700 0.00960 0.02100 0.00000 0.00000 -0.00430
O8 0.01230 0.01050 0.01500 0.00000 0.00000 -0.00200