data_global
_chemical_name_mineral 'Penikisite'
loop_
_publ_author_name
'Bowman M G'
'Downs R T'
'Yang H'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 69 
_journal_year 2013
_journal_page_first i4
_journal_page_last i5
_publ_section_title
;
 Penikisite, BaMg2Al2(PO4)3(OH)3, isostructural with bjarebyite
;
_database_code_amcsd 0019754
_chemical_compound_source 'Mayo Mining District, Yukon Territory, Canada'
_chemical_formula_sum 'Ba (Mg1.97 Mn.03) Al2 P3 O15 H3'
_cell_length_a 8.9577
_cell_length_b 12.0150
_cell_length_c 4.9079
_cell_angle_alpha 90
_cell_angle_beta 100.505
_cell_angle_gamma 90
_cell_volume 519.368
_exptl_crystal_density_diffrn      3.688
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
Ba   0.54787   0.75000   0.74171   1.00000   0.00734
Mg   0.29439  -0.11139   0.20677   0.98500   0.00705
Mn   0.29439  -0.11139   0.20677   0.01500   0.00705
Al   0.09176   0.40084   0.12947   1.00000   0.00401
P1   0.15736   0.75000   0.68481   1.00000   0.00467
P2   0.33413   0.44282   0.70566   1.00000   0.00495
O1   0.27909   0.75000   0.94710   1.00000   0.00720
O2   0.23251   0.75000   0.43030   1.00000   0.00680
O3   0.05983   0.64525   0.68500   1.00000   0.00791
O4   0.36649   0.55738   0.60500   1.00000   0.00846
O5   0.25965   0.45434   0.96970   1.00000   0.00811
O6   0.22678   0.38012   0.47410   1.00000   0.00917
O7   0.47653   0.37189   0.79010   1.00000   0.00821
O-h8   0.12478   0.25000   0.00770   1.00000   0.00830
O-h9   0.06100   0.55814   0.18910   1.00000   0.00679
H1   0.13700   0.25000  -0.14700   1.00000   0.03000
H2   0.04600   0.58500   0.32500   1.00000   0.03000
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
Ba 0.00667 0.00826 0.00724 0.00000 0.00171 0.00000
Mg 0.00690 0.00700 0.00715 0.00042 0.00119 -0.00064
Mn 0.00690 0.00700 0.00715 0.00042 0.00119 -0.00064
Al 0.00373 0.00395 0.00440 -0.00027 0.00091 0.00002
P1 0.00489 0.00500 0.00428 0.00000 0.00138 0.00000
P2 0.00499 0.00536 0.00459 0.00024 0.00113 0.00027
O1 0.00720 0.00850 0.00550 0.00000 0.00010 0.00000
O2 0.00880 0.00610 0.00620 0.00000 0.00360 0.00000
O3 0.00820 0.00690 0.00950 -0.00290 0.00400 -0.00150
O4 0.01010 0.00700 0.00830 -0.00010 0.00180 0.00230
O5 0.00840 0.01020 0.00670 -0.00080 0.00370 -0.00060
O6 0.00930 0.01000 0.00730 -0.00020 -0.00080 -0.00150
O7 0.00580 0.00870 0.01020 0.00210 0.00180 0.00200
O-h8 0.01100 0.00710 0.00710 0.00000 0.00270 0.00000
O-h9 0.00780 0.00760 0.00490 -0.00010 0.00120 -0.00160