data_global
_chemical_name_mineral 'Inderborite'
loop_
_publ_author_name
'Burns P C'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 32 
_journal_year 1994
_journal_page_first 533
_journal_page_last 539
_publ_section_title
;
 Structure and hydrogen bonding in inderborite, a heteropolyhedral sheet
 structure
;
_database_code_amcsd 0005383
_chemical_formula_sum 'Mg Ca B6 O22 H22'
_cell_length_a 12.137
_cell_length_b 7.433
_cell_length_c 19.234
_cell_angle_alpha 90
_cell_angle_beta 90.29
_cell_angle_gamma 90
_cell_volume 1735.160
_exptl_crystal_density_diffrn      1.927
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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
_atom_site_U_iso_or_equiv
Mg   0.00000   0.00000   0.00000 ?
Ca   0.00000   0.21603   0.25000 ?
B1   0.09960   0.95790   0.14969 ?
B2   0.40490   0.35130   0.14216 ?
B3   0.05530   0.63670   0.16590 ?
O1  -0.01566  -0.01470   0.16342 ?
O-h2   0.12220   0.00840   0.07619 ?
O-h3   0.16100   0.07040   0.19957 ?
O4   0.13300   0.76740   0.16103 ?
O5  -0.05450   0.66670   0.15821 ?
O-h6   0.08620   0.45950   0.17832 ?
O-h7   0.29878   0.37760   0.17594 ?
O-h8   0.38810   0.36330   0.06469 ?
OW9   0.44230   0.74710   0.03743 ?
OW10   0.36040   0.82760   0.16832 ?
OW11   0.16420   0.45070   0.02170 ?
H1   0.19600  -0.02000   0.06400   0.05080
H2   0.21300   0.15800   0.18400   0.05080
H3   0.16380   0.44400   0.17500   0.05080
H4   0.30700   0.42000   0.22240   0.05080
H5   0.36700   0.25000   0.04500   0.05080
H6   0.41100   0.74800   0.08270   0.05080
H7   0.40600   0.84900   0.01800   0.05080
H8   0.28320   0.80600   0.17200   0.05080
H9   0.36900   0.95500   0.16800   0.05080
H10   0.11900   0.39900   0.05600   0.05080
H11   0.23100   0.48500   0.04500   0.05080
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
Mg 0.01490 0.01360 0.01040 -0.00050 -0.00030 0.00150
Ca 0.00960 0.00950 0.01100 0.00000 0.00020 0.00000
B1 0.01110 0.01030 0.01000 -0.00030 0.00060 0.00060
B2 0.00820 0.00930 0.01160 0.00030 0.00020 0.00100
B3 0.01250 0.01120 0.01330 0.00060 0.00020 0.00070
O1 0.00880 0.01010 0.01460 0.00030 0.00040 -0.00180
O-h2 0.01510 0.02590 0.01100 -0.00100 0.00170 0.00320
O-h3 0.01270 0.01110 0.01420 -0.00400 0.00000 -0.00130
O4 0.01010 0.00880 0.02600 0.00140 0.00030 0.00090
O5 0.01050 0.00940 0.02650 0.00040 -0.00140 0.00310
O-h6 0.01190 0.00960 0.03030 0.00150 -0.00040 0.00440
O-h7 0.00890 0.01950 0.01480 0.00020 0.00120 -0.00340
O-h8 0.01800 0.01740 0.01020 -0.00360 -0.00100 -0.00070
OW9 0.04750 0.02280 0.01940 0.01370 0.00630 0.00180
OW10 0.01360 0.01360 0.02500 0.00170 -0.00250 0.00140
OW11 0.03030 0.03050 0.03130 0.00310 -0.00450 0.00270