data_global
_chemical_name_mineral 'Satterlyite'
loop_
_publ_author_name
'Kolitsch U'
'Andrut M'
'Giester G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 14 
_journal_year 2002
_journal_page_first 127
_journal_page_last 133
_publ_section_title
;
 Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure
 and infrared absorption spectra
 Note: z-coordinate of O6 altered by author, August 2003.
;
_database_code_amcsd 0006926
_chemical_formula_sum '(Fe1.544 Mg.456) P O5 H'
_cell_length_a 11.355
_cell_length_b 11.355
_cell_length_c 5.0394
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 562.709
_exptl_crystal_density_diffrn      3.706
_symmetry_space_group_name_H-M 'P 3 1 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,-y,z'
  '-y,x-y,z'
  'y,x,z'
  '-x+y,-x,z'
  '-x,-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
FeM1   0.32918   0.85077   0.01101   0.83800   0.01032
MgM1   0.32918   0.85077   0.01101   0.16200   0.01032
FeM2   0.17508   0.85376   0.50440   0.70600   0.00870
MgM2   0.17508   0.85376   0.50440   0.29400   0.00870
P1   0.00000   0.00000   0.27825   1.00000   0.00745
P2   0.33333   0.66667   0.52733   1.00000   0.00671
P3   0.34138   0.34138   0.97775   1.00000   0.00676
O1   0.87239   0.87239   0.36970   1.00000   0.01920
O2   0.27631   0.75462   0.63550   1.00000   0.01207
O3   0.26833   0.26833   0.72030   1.00000   0.01190
O4   0.12718   0.75025   0.14270   1.00000   0.01200
O5   0.47330   0.47330   0.90510   1.00000   0.01340
O6   0.33333   0.66667   0.21870   1.00000   0.01620
O-h1   0.62619   0.62619   0.32500   1.00000   0.01120
O-h2   0.72336   0.72336   0.81620   1.00000   0.01160
O-h3   0.00000   0.00000  -0.03050   1.00000   0.03970
H1   0.56300   0.56300   0.41600   1.00000   0.02400
H2   0.80500   0.80500   0.90400   1.00000   0.02100
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 0.00807 0.01038 0.00916 0.00211 0.00059 -0.00229
MgM1 0.00807 0.01038 0.00916 0.00211 0.00059 -0.00229
FeM2 0.00898 0.00790 0.00909 0.00413 -0.00001 0.00038
MgM2 0.00898 0.00790 0.00909 0.00413 -0.00001 0.00038
P1 0.00690 0.00690 0.00850 0.00345 0.00000 0.00000
P2 0.00744 0.00744 0.00520 0.00260 0.00000 0.00000
P3 0.00686 0.00686 0.00680 0.00362 -0.00074 -0.00074
O1 0.00900 0.00900 0.03770 0.00290 0.00580 0.00580
O2 0.01520 0.01300 0.01260 0.01050 -0.00100 -0.00130
O3 0.01370 0.01370 0.01180 0.00960 -0.00530 -0.00530
O4 0.00850 0.01500 0.00940 0.00350 -0.00180 -0.00160
O5 0.00950 0.00950 0.01700 0.00150 0.00040 0.00040
O6 0.02130 0.02130 0.00600 0.01065 0.00000 0.00000
O-h1 0.01210 0.01210 0.00820 0.00520 -0.00020 -0.00020
O-h2 0.01270 0.01270 0.01000 0.00690 -0.00280 -0.00280
O-h3 0.05490 0.05490 0.00950 0.02745 0.00000 0.00000