data_global
_chemical_name_mineral 'Chiavennite'
loop_
_publ_author_name
'Tazzoli V'
'Domeneghetti M C'
'Mazzi F'
'Cannillo E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 7 
_journal_year 1995
_journal_page_first 1339
_journal_page_last 1334
_publ_section_title
;
 The crystal structure of chiavennite
;
_database_code_amcsd 0006609
_chemical_formula_sum 'Ca Mn Be2 Si5 O17 H6'
_cell_length_a 8.729
_cell_length_b 31.326
_cell_length_c 4.903
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1340.699
_exptl_crystal_density_diffrn      2.633
_symmetry_space_group_name_H-M 'P n a b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,z'
  '1/2-x,y,-z'
  'x,1/2+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+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
Ca   0.25000   0.08790   0.00000   0.01830
Mn   0.00000   0.00000   0.00000   0.01520
Be  -0.00030   0.05720  -0.42980   0.00900
Si1   0.25000   0.00130   0.50000   0.01240
Si2   0.58380   0.23220   0.10470   0.01850
Si3   0.14250  -0.13510   0.24360   0.01940
O1   0.13920  -0.02790   0.31340   0.01550
O2   0.15170   0.03240  -0.29570   0.01530
O3   0.04140   0.23910   0.13470   0.04090
O4   0.25000  -0.24780   0.00000   0.02850
O5   0.25000  -0.11870   0.00000   0.07730
O6   0.25000  -0.13870   0.50000   0.10490
O7   0.08000  -0.18240   0.17730   0.03420
O8   0.00050  -0.10440   0.29050   0.02070
O-H   0.01250   0.05810   0.24300   0.02070
Wat   0.15810   0.14740   0.26020   0.03710
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
Ca 0.02750 0.01380 0.01380 0.00000 0.00040 0.00000
Mn 0.02340 0.01220 0.00990 -0.00180 0.00000 0.00050
Be 0.01660 0.00750 0.00290 -0.00100 0.00560 -0.00300
Si1 0.01700 0.01000 0.01010 0.00000 -0.00140 0.00000
Si2 0.02220 0.01130 0.02180 0.00220 0.00230 0.00090
Si3 0.02130 0.01200 0.02500 -0.00050 -0.00280 0.00130
O1 0.01690 0.01240 0.01710 -0.00110 -0.00190 -0.00390
O2 0.01960 0.01230 0.01390 0.00110 -0.00070 -0.00150
O3 0.03570 0.04310 0.04370 0.00110 -0.01360 -0.01490
O4 0.02940 0.01900 0.03710 0.00000 0.00880 0.00000
O5 0.07680 0.03140 0.12360 0.00000 0.08210 0.00000
O6 0.11390 0.05100 0.14970 0.00000 -0.10320 0.00000
O7 0.03500 0.01410 0.05340 -0.00260 0.00910 -0.01090
O8 0.02500 0.01320 0.02390 -0.00330 0.00430 -0.00580
O-H 0.02660 0.01620 0.01920 0.00170 -0.00290 -0.00010
Wat 0.04310 0.03220 0.03590 0.00980 -0.00320 -0.01390