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#$Date: 2022-09-15 12:05:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/6/00/00/6000026.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_6000026
loop_
_publ_author_name
'Schäfer, G.'
'Borrmann, H.'
'Kniep, R.'
_publ_section_title
;
 Synthesis and crystal structure of NH4[(Zn1-xCox)BP2O8] (0 <= x <= 0.14),
 a metallo-borophosphate analogue of the zeolite gismondine
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              161
_journal_page_last               167
_journal_paper_doi               10.1016/S1387-1811(00)00283-3
_journal_volume                  41
_journal_year                    2000
_chemical_formula_sum            'B Co0.12 H4 N O8 P2 Zn0.88'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                118.9940(9)
_cell_angle_beta                 101.6597(9)
_cell_angle_gamma                103.4308(14)
_cell_formula_units_Z            2
_cell_length_a                   7.4319(11)
_cell_length_b                   7.5997(5)
_cell_length_c                   7.8402(2)
_cell_volume                     350.01(6)
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '?' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-09
;
_cod_database_code               6000026
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 0.30563(9) 0.20424(10) 0.75852(9) Uani 0.01224(18) 0.88 A 1
Co1 0.30563(9) 0.20424(10) 0.75852(9) Uani 0.01224(18) 0.12 A 2
B1 0.2004(8) 0.4237(9) 0.4293(9) Uani 0.0120(11) 1 . .
P1 0.04687(18) -0.2814(2) 0.4122(2) Uani 0.0108(3) 1 . .
P2 0.53379(18) 0.6141(2) 0.7755(2) Uani 0.0105(3) 1 . .
O1 0.3376(5) 0.5976(5) 0.6397(5) Uani 0.0131(7) 1 . .
O2 0.5795(5) 0.8001(6) 0.9976(5) Uani 0.0158(8) 1 . .
O3 0.0907(5) -0.4912(5) 0.3305(5) Uani 0.0128(7) 1 . .
O4 0.7015(5) 0.6930(5) 0.7090(5) Uani 0.0135(7) 1 . .
O5 0.2358(5) -0.0830(5) 0.5155(5) Uani 0.0154(8) 1 . .
O6 -0.0523(5) -0.2511(5) 0.5761(5) Uani 0.0139(7) 1 . .
O7 0.5185(5) 0.4007(5) 0.7486(6) Uani 0.0161(8) 1 . .
O8 -0.0962(5) -0.3183(6) 0.2192(6) Uani 0.0163(8) 1 . .
N1 0.2304(8) 0.8394(9) 1.0923(8) Uani 0.0317(13) 1 . .
H1 0.261(7) 0.815(8) 1.185(6) Uiso 0.038 1 . .
H2 0.124(5) 0.743(7) 0.992(6) Uiso 0.038 1 . .
H3 0.325(6) 0.847(8) 1.045(7) Uiso 0.038 1 . .
H4 0.220(7) 0.963(6) 1.146(7) Uiso 0.038 1 . .
