data_global
_chemical_name_mineral 'Hydroxylchondrodite'
loop_
_publ_author_name
'Pekov I V'
'Gerasimova E I'
'Chukanov N V'
'Kabalov Y K'
'Zubkova N V'
'Zadov A E'
'Yapaskurt V O'
'Gekimyants V M'
'Pushcharovskii D Y'
_journal_name_full 'Doklady Akademii Nauk'
_journal_volume 436 
_journal_year 2011
_journal_page_first 526
_journal_page_last 532
_publ_section_title
;
 Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group
 and its crystal structure
;
_database_code_amcsd 0018887
_chemical_compound_source 'Perovskitovaya Kop', Chuvashskie Mountains, Southern Urals, Russia'
_chemical_formula_sum 'Mg4.7 Ti.3 Si2 O9.76 F.24 H1.32'
_cell_length_a 7.880
_cell_length_b 4.726
_cell_length_c 10.290
_cell_angle_alpha 90
_cell_angle_beta 109.04
_cell_angle_gamma 90
_cell_volume 362.244
_exptl_crystal_density_diffrn      3.180
_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_occupancy
_atom_site_U_iso_or_equiv
Mg1   0.50000   0.50000   0.00000   1.00000   0.01773
Mg2   0.30730   0.01600   0.17530   1.00000   0.01267
Mg3   0.07800   0.49800   0.89150   0.85000   0.01013
Ti3   0.07800   0.49800   0.89150   0.15000   0.01013
Si   0.70290   0.08000   0.14290   1.00000   0.01520
O1   0.29400   0.77700   0.00300   1.00000   0.01267
O2   0.11900   0.71200   0.24000   1.00000   0.01267
O3   0.53000   0.22600   0.16300   1.00000   0.01520
O4   0.30000   0.26200   0.85600   1.00000   0.01013
O-H5   0.09800   0.25600   0.05100   0.66000   0.01013
F5   0.09800   0.25600   0.05100   0.12000   0.01013
O5   0.09800   0.25600   0.05100   0.22000   0.01013