data_global
_chemical_name_mineral 'Chegemite'
loop_
_publ_author_name
'Galuskin E V'
'Gazeev V M'
'Lazic B'
'Armbruster T'
'Galuskina I O'
'Zadov A E'
'Pertsev N N'
'Wrzalik R'
'Dzierzanowski P'
'Gurbanov A G'
'Bzowska G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 21 
_journal_year 2009
_journal_page_first 1045
_journal_page_last 1059
_publ_section_title
;
 Chegemite Ca7(SiO4)3(OH)2 - a new humite-group mineral from the Northern Caucasus,
 Kabardino-Balkaria, Russia
 the Upper Chegem volcanic structure, Northern Caucasus, Kabardino-Balkaria, Russia
;
_database_code_amcsd 0007334
_chemical_compound_source 'in the high-temperature skarns in calcareous xenoliths in ignimbrites of'
_chemical_formula_sum 'Ca7 Si3 O13.76 F.24 H1.76'
_cell_length_a 5.0696
_cell_length_b 11.3955
_cell_length_c 23.5571
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1360.908
_exptl_crystal_density_diffrn      2.886
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+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
Ca1   0.50376   0.37818   0.17654   1.00000   0.00886
Ca2  -0.50687   0.65807   0.25000   1.00000   0.00771
Ca3  -0.00244   0.59346   0.11140   1.00000   0.00850
Ca4   0.50746   0.36064   0.02789   1.00000   0.00915
Si1  -0.07130   0.47112   0.25000   1.00000   0.00608
Si2   0.07409   0.27988   0.10707   1.00000   0.00620
O1  -0.75110   0.47020   0.25000   1.00000   0.00940
O2  -0.29810   0.83850   0.25000   1.00000   0.00830
O3  -0.20219   0.53681   0.19476   1.00000   0.00867
O4   0.75390   0.27935   0.10590   1.00000   0.00940
O5   0.20452   0.41215   0.10440   1.00000   0.00884
O6   0.29695   0.71759   0.16372   1.00000   0.00896
O7   0.20452   0.21020   0.05265   1.00000   0.00905
F8   0.75180   0.53095   0.03410   0.12000   0.02140
O8   0.75180   0.53095   0.03410   0.88000   0.02140
H1   0.91200   0.50200   0.01900   0.44000   0.05000
H2   0.61900   0.54000   0.05930   0.44000   0.05000
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
Ca1 0.00768 0.01069 0.00821 -0.00048 -0.00120 -0.00192
Ca2 0.00827 0.00673 0.00813 0.00048 0.00000 0.00000
Ca3 0.00964 0.00691 0.00895 -0.00077 0.00066 0.00051
Ca4 0.00957 0.00944 0.00843 -0.00042 0.00127 0.00022
Si1 0.00470 0.00670 0.00690 0.00016 0.00000 0.00000
Si2 0.00551 0.00669 0.00640 -0.00003 -0.00011 -0.00006
O1 0.00710 0.01110 0.01000 0.00010 0.00000 0.00000
O2 0.00820 0.00780 0.00890 0.00010 0.00000 0.00000
O3 0.00930 0.00900 0.00770 0.00080 -0.00010 0.00110
O4 0.00660 0.01030 0.01120 -0.00020 -0.00060 -0.00020
O5 0.00880 0.00770 0.01000 0.00040 -0.00020 -0.00060
O6 0.00860 0.00990 0.00840 0.00010 -0.00030 0.00130
O7 0.00870 0.00960 0.00890 -0.00010 0.00040 -0.00180
F8 0.02590 0.01090 0.02740 -0.00420 -0.01930 0.00300
O8 0.02590 0.01090 0.02740 -0.00420 -0.01930 0.00300