data_global
_chemical_name_mineral 'Baricite'
loop_
_publ_author_name
'Takagi S'
'Mathew M'
'Brown W E'
_journal_name_full 'American Mineralogist'
_journal_volume 71 
_journal_year 1986
_journal_page_first 1229
_journal_page_last 1233
_publ_section_title
;
 Crystal structures of bobierrite and synthetic Mg3(PO4)2.8H2O
;
_database_code_amcsd 0001049
_chemical_formula_sum 'Mg3 P2 O16'
_cell_length_a 10.034
_cell_length_b 13.407
_cell_length_c 4.657
_cell_angle_alpha 90
_cell_angle_beta 105.09
_cell_angle_gamma 90
_cell_volume 604.884
_exptl_crystal_density_diffrn      2.146
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.00000   0.00000   0.00000
Mg2   0.00000   0.39054   0.00000
P   0.31452   0.00000   0.38430
O1   0.15750   0.00000   0.37090
O2   0.39470   0.00000   0.71440
O3   0.34550   0.09560   0.23030
OW1   0.40130   0.38660   0.19160
OW2   0.10100   0.27870   0.28020
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
Mg1 0.00720 0.01010 0.00660 0.00000 0.00120 0.00000
Mg2 0.01010 0.00920 0.00840 0.00000 0.00300 0.00000
P 0.00780 0.01040 0.00710 0.00000 0.00260 0.00000
O1 0.00900 0.01730 0.00950 0.00000 0.00310 0.00000
O2 0.01130 0.01290 0.00860 0.00000 0.00260 0.00000
O3 0.01240 0.01250 0.01110 0.00050 0.00410 0.00080
OW1 0.01400 0.01960 0.01350 0.00070 0.00370 -0.00240
OW2 0.02500 0.01670 0.01470 0.00200 0.00420 0.00110