data_global
_chemical_name_mineral 'Faheyite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 53 
_journal_year 2015
_journal_page_first 199
_journal_page_last 208
_publ_section_title
;
 The crystal structure of faheyite, Mn2+Fe3+2[Be2(PO4)4](H2O)6:
 a new twist for the [Be(PPhi4)2] chain
;
_database_code_amcsd 0020881
_chemical_compound_source 'Roosevelt mine, South Dakota, USA'
_chemical_formula_sum 'Be2 Mn Fe2 P4 O22 H12'
_cell_length_a 9.404
_cell_length_b 9.404
_cell_length_c 15.920
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1219.267
_exptl_crystal_density_diffrn      2.748
_symmetry_space_group_name_H-M 'P 31 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,1/3+z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,2/3+z'
  'x-y,-y,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Be   0.84400   0.68610   0.08400   0.01600
Mn2+   0.00000  -0.00120   0.16667   0.02180
Fe3+   0.55360   0.10775   0.08260   0.01520
P1   0.60930   0.79100   0.09090   0.01550
P2   0.17990   0.79220   0.08150   0.01030
O1   0.78150   0.81670   0.10130   0.01400
O2   0.49300   0.63800   0.13570   0.02100
O3   0.60800   0.94650   0.12260   0.02000
O4   0.57040   0.76570  -0.00160   0.01700
O5   0.19930   0.76190   0.17260   0.01100
O6   0.14300   0.63600   0.03050   0.01500
O7   0.33370   0.94120   0.04440   0.01000
O8   0.04100   0.83400   0.07100   0.01600
Wat9   0.79900   0.29200   0.11670   0.02300
Wat10   0.49200   0.28940   0.05000   0.01800
Wat11   0.09700   0.21440   0.08930   0.04000
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
Be 0.01600 0.01600 0.01600 0.00800 -0.00010 0.00010
Mn2+ 0.02350 0.02460 0.01690 0.01170 -0.00130 -0.00070
Fe3+ 0.01760 0.02050 0.00380 0.00670 0.00070 0.00030
P1 0.01700 0.01800 0.01000 0.00690 0.00060 0.00020
P2 0.01170 0.01230 0.00440 0.00410 0.00010 -0.00130
O1 0.01400 0.01400 0.01300 0.00690 0.00030 0.00010
O2 0.02100 0.02100 0.02000 0.01020 0.00030 0.00030
O3 0.02100 0.02100 0.01900 0.01000 -0.00050 0.00020
O4 0.01800 0.01800 0.01600 0.00820 0.00010 -0.00020
O5 0.01100 0.01100 0.00900 0.00530 0.00030 -0.00020
O6 0.01500 0.01500 0.01300 0.00680 0.00020 -0.00050
O7 0.01000 0.01100 0.00900 0.00450 -0.00020 0.00030
O8 0.01600 0.01600 0.01500 0.00740 0.00020 -0.00040
Wat9 0.02300 0.02300 0.02200 0.01100 -0.00040 -0.00010
Wat10 0.01900 0.01800 0.01700 0.00900 -0.00020 0.00030
Wat11 0.04000 0.04000 0.04000 0.01970 0.00000 0.00040