data_global
_chemical_name_mineral 'Admontite'
loop_
_publ_author_name
'dal Negro A'
'Ungaretti L'
'Basso R'
_journal_name_full 'Crystal Structure Communications'
_journal_volume 5 
_journal_year 1976
_journal_page_first 433
_journal_page_last 436
_publ_section_title
;
 The crystal structure of synthetic hydrated borates: (II) MgO*3B2O3*7H2O
;
_database_code_amcsd 0012333
_chemical_formula_sum 'Mg B6 O17 H22'
_cell_length_a 12.664
_cell_length_b 10.091
_cell_length_c 11.322
_cell_angle_alpha 90
_cell_angle_beta 109.6
_cell_angle_gamma 90
_cell_volume 1363.031
_exptl_crystal_density_diffrn      1.868
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg1   0.00000   0.00000   0.00000   0.01267
Mg2   0.50000   1.00000   0.50000   0.01520
B1   0.22520   0.12770   0.01600   0.01267
B2   0.08210   0.11740  -0.20970   0.01140
B3   0.18520  -0.09540  -0.10150   0.01267
B4   0.36930  -0.05130   0.05800   0.01646
B5   0.10520  -0.07460  -0.33300   0.01646
B6   0.17350   0.32520  -0.11680   0.01520
O1   0.14210   0.11170   0.07790   0.01646
O2   0.10150  -0.13180  -0.04710   0.01773
O3  -0.02020   0.09740  -0.17520   0.01520
O4   0.47640  -0.09360   0.11520   0.02660
O5   0.17610   0.46120  -0.12480   0.02153
O6   0.08500  -0.13580  -0.44580   0.03673
O7   0.17970   0.05530  -0.10870   0.01140
O8   0.24060   0.26730  -0.00880   0.01520
O9   0.10560   0.25670  -0.21640   0.01646
O10   0.06970   0.05210  -0.32850   0.01520
O11   0.16160  -0.14670  -0.22980   0.01520
O12   0.29830  -0.13440  -0.02900   0.01773
O13   0.33360   0.07030   0.08640   0.01773
H1   0.14400   0.17000   0.13000   0.07599
H2   0.11500  -0.19800  -0.02000   0.06333
H3  -0.06600   0.16500  -0.20000   0.05066
H4   0.51300  -0.02100   0.15100   0.07599
H5   0.13200   0.49600  -0.18800   0.07599
H6   0.04200  -0.10400  -0.51900   0.08866
H7   0.65900   1.18900   0.52500   0.05066
H8   0.71300   1.04600   0.55100   0.06333
H9   0.61500   0.88800   0.73600   0.07599
H10   0.54600   0.79300   0.64300   0.07599
H11   0.62900   0.82500   0.44500   0.08866
H12   0.50900   0.77500   0.36900   0.07599
H13   0.61400   0.35900   0.81300   0.11399
H14   0.67700   0.35500   0.72300   0.07599
Wat1   0.64400   1.10240   0.51130   0.02786
Wat2   0.54240   0.85700   0.39380   0.02786
Wat3   0.58480   0.87350   0.65270   0.02660
Wat4   0.60290   0.36120   0.73470   0.03926