LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 6-butyl-2-chlorothiazolo[5,4-a]acridin-11(6H)- one, C~18~H~15~ClN~2~OS
Hanoun, J.-P.; Boyer, G.; Galy, J.-P.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 455–456; doi:

data_8101295
_publ_section_title
;
Crystal structure of 6-butyl-2-chlorothiazolo[5,4-a]acridin-11(6H)-
one, C~18~H~15~ClN~2~OS
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              455
_journal_page_last               456
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C18 H15 Cl N2 O S'
_chemical_formula_weight         342.84
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.360(1)
_cell_length_b                   15.794(1)
_cell_length_c                   23.949(1)
_cell_measurement_temperature    298
_cell_volume                     3162.2(7)
_exptl_crystal_density_diffrn    1.441
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C18 H15 Cl1 N2 O1 S1'
_cod_database_code               8101295
Crystal structure of samarium tris[bis(dimethylsilyl)amide]-bis (tetrahydrofuran), Sm[N(SiHMe~2~)~2~]~3~(THF)~2~
Rabe, Gerd W.; Yap, Glenn P. A.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 457–458; doi:

data_8101296
_publ_section_title
;
Crystal structure of samarium tris[bis(dimethylsilyl)amide]-bis
(tetrahydrofuran), Sm[N(SiHMe~2~)~2~]~3~(THF)~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              457
_journal_page_last               458
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Sm[N(Si Me2)2]3(T H F)2'
_chemical_formula_sum            'C20 H58 N3 O2 Si6 Sm'
_chemical_formula_weight         691.58
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.191(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.146(2)
_cell_length_b                   16.377(2)
_cell_length_c                   16.853(2)
_cell_measurement_temperature    203(2)
_cell_volume                     3627.7(7)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.266
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101296
Crystal structure of (2E)-3-bromo-2-[bromo(chloro)phenyl-λ^4 ^-tellanyl]-2-propen-1-ol, BrCH=C(TeBrClPh)(CH~2~OH)
Schulz Lang, Ernesto; Burrow, Robert A.; Braga, Antonio Luiz; Dorneles, Luciano; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 459–460; doi:

data_8101297
_publ_section_title
;
Crystal structure of (2E)-3-bromo-2-[bromo(chloro)phenyl-\l^4
^-tellanyl]-2-propen-1-ol, BrCH=C(TeBrClPh)(CH~2~OH)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              459
_journal_page_last               460
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C9 H9 Br2 Cl O Te'
_chemical_formula_structural     'Br C H=C(Te Br Cl Ph)(C H2 O H)'
_chemical_formula_sum            'C9 H9 Br2 Cl O Te'
_chemical_formula_weight         456.03
_chemical_name_common            BrCH\\dbC(TeBrClPh)(CH2OH)
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.4595(16)
_cell_length_b                   8.4396(5)
_cell_length_c                   26.2962(19)
_cell_measurement_temperature    293(2)
_cell_volume                     2543.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.382
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101297
Crystal structure of dirubidium oxodinitridotungstate(VI), Rb~2~[WN~2~O]
Niewa, Rainer; Jacobs, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 17–18; doi:

data_8101298
_publ_section_title
;
Crystal structure of dirubidium oxodinitridotungstate(VI), Rb~2~[WN~2~O]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              17
_journal_page_last               18
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Rb2 [W N2 O]'
_chemical_formula_structural     'Rb2 [W N2 O]'
_chemical_formula_sum            'N2 O Rb2 W'
_chemical_formula_weight         398.81
_space_group_IT_number           40
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   6.154(1)
_cell_length_b                   20.963(4)
_cell_length_c                   12.169(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1569.7(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.063
_refine_ls_R_factor_obs          0.0409
_refine_ls_wR_factor_obs         0.0952
_cod_duplicate_entry             8101228
_cod_database_code               8101298
Crystal structure of dibarium dimanganese disilicium nonaoxide Ba~2~Mn~2~Si~2~O~9~
Kaiser, Joachim W.; Jeitschko, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 313–314; doi:

data_8101299
_publ_section_title
;
Crystal structure of dibarium dimanganese disilicium nonaoxide 
Ba~2~Mn~2~Si~2~O~9~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              313
_journal_page_last               314
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Ba2 Mn2 Si2 O9'
_chemical_formula_sum            'Ba2 Mn2 O9 Si2'
_chemical_formula_weight         584.74
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.568(2)
_cell_length_b                   10.741(2)
_cell_length_c                   18.287(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1682.9(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.616
_cod_database_code               8101299
Crystal structure of distrontium lanthanum gallium pentaoxide, Sr~2~LaGaO~5~
Gesing, Thorsten M.; Uecker, Reinhard; Buhl, J.-C.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 317–317; doi:

data_8101300
_publ_section_title
;
Crystal structure of distrontium lanthanum gallium pentaoxide, Sr~2~LaGaO~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              317
_journal_page_last               317
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         Sr2LaGaO5
_chemical_formula_structural     'Sr2 La Ga O5'
_chemical_formula_sum            'Ga La O5 Sr2'
_chemical_formula_weight         463.87
_chemical_name_common            Sr2LaGaO5
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.93387(44)
_cell_length_b                   6.93387(44)
_cell_length_c                   11.28230(81)
_cell_measurement_temperature    295(2)
_cell_volume                     542.44(6)
_diffrn_ambient_temperature      295(2)
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_prof_R_factor        0.0180
_pd_proc_ls_prof_wR_expected     0.0126
_pd_proc_ls_prof_wR_factor       0.0271
_cod_database_code               8101300
_pd_proc_ls_prof_r_factor_on_i   0.0314
_pd_proc_ls_prof_r_factor_on_f   0.0193
Crystal structure of potassium niobate, K~6~Nb~10.80~O~30~, a partially filled tetragonal tungsten bronze-type structure
Becker, Petra; Held, Peter; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 319–320; doi:

data_8101301
_publ_section_title
;
Crystal structure of potassium niobate, K~6~Nb~10.80~O~30~, a partially 
filled tetragonal tungsten bronze-type structure
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              319
_journal_page_last               320
_journal_volume                  215
_journal_year                    2000
_chemical_formula_iupac          'K6 Nb10.80 O30'
_chemical_formula_sum            'K6 Nb10.8 O30'
_chemical_formula_weight         1717.94
_chemical_melting_point          1445
_chemical_name_common            'Potassium niobate'
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   12.537(2)
_cell_length_b                   12.537(2)
_cell_length_c                   3.97300(10)
_cell_measurement_temperature    293(2)
_cell_volume                     624.46(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.569
_refine_diff_density_rms         0.381
_cod_original_formula_sum        'K6 Nb10.80 O30'
_cod_database_code               8101301
Crystal structure of the defect clathrate-I, Ba~8~Ge~43~
Carrillo-Cabrera, Wilder; Curda, Jan; Peters, Karl; Paschen, Silke; Baenitz, Michael; Grin, Yuri; von Schnering, Hans Georg; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 321–322; doi:

data_8101302
_publ_section_title
;
Crystal structure of the defect clathrate-I, Ba~8~Ge~43~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              321
_journal_page_last               322
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'Ba8 Ge43'
_chemical_formula_weight         4220.09
_chemical_melting_point          1083
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   10.6566(2)
_cell_length_b                   10.6566(2)
_cell_length_c                   10.6566(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1210.20(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.793
_cod_database_code               8101302
Crystal structure of tetra(calcium/strontium) cyanamide dinitride, Ca~4‒x~Sr~x~[CN~2~]N~2~ (x = 0.80)
Höhn, Peter; Niewa, Rainer; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 323–326; doi:

data_8101303
_publ_section_title
;
Crystal structure of tetra(calcium/strontium) cyanamide dinitride, 
Ca~4--x~Sr~x~[CN~2~]N~2~ (x = 0.80)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              323
_journal_page_last               326
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Ca4-x Srx [C N2] N2'
_chemical_formula_sum            'C Ca3.2 N4 Sr0.8'
_chemical_formula_weight         266.40
_chemical_name_common            Calcium-strontium-cyanamide-nitride
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.677(1)
_cell_length_b                   3.6470(4)
_cell_length_c                   13.911(1)
_cell_measurement_temperature    293(2)
_cell_volume                     592.41(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.987
_cod_original_formula_sum        'C Ca3.20 N4 Sr0.80'
_cod_database_code               8101303
Crystal structure of samarium selenide, SmSe~1.90~
Dashjav, E.; Doert, Th.; Böttcher, P.; Mattausch, Hj.; Oeckler, O.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 337–338; doi:

data_8101304
_publ_section_title
;
Crystal structure of samarium selenide, SmSe~1.90~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              337
_journal_page_last               338
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         SmSe1.9
_chemical_formula_sum            'Se1.9 Sm'
_chemical_formula_weight         300.37
_chemical_name_common            'Samarium Selenide SmSe1.9'
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            20
_cell_length_a                   9.143(1)
_cell_length_b                   9.143(1)
_cell_length_c                   16.624(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1389.7(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.178
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        'Sm Se1.90'
_cod_database_code               8101304
Crystal structure of dibarium calcium [tetranitridotungstate(VI)], Ba~2~Ca[WN~4~]
Höhn, Peter; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 331–332; doi:

data_8101305
_publ_section_title
;
Crystal structure of dibarium calcium [tetranitridotungstate(VI)], 
Ba~2~Ca[WN~4~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              331
_journal_page_last               332
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     Ba2Ca[WN4]
_chemical_formula_sum            'Ba2 Ca N4 W'
_chemical_formula_weight         554.65
_chemical_name_common            'Dibarium calcium tetranitridotungstate(VI)'
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   10.873(1)
_cell_length_b                   11.993(1)
_cell_length_c                   17.937(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2339.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.300
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               8101305
Crystal structure of tetra(calcium/strontium) cyanamide dinitride, Ca~4‒x~Sr~x~[CN~2~]N~2~ (x = 0.80)
Höhn, Peter; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 323–326; doi:

data_8101306
_publ_section_title
;
Crystal structure of tetra(calcium/strontium) cyanamide dinitride, 
Ca~4--x~Sr~x~[CN~2~]N~2~ (x = 0.80)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              323
_journal_page_last               326
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     Sr3[MoN4]
_chemical_formula_sum            'Mo N4 Sr3'
_chemical_formula_weight         414.84
_chemical_name_common            'Tristrontium tetranitridomolybdate(VI)'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.75(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   17.793(1)
_cell_length_b                   10.295(1)
_cell_length_c                   9.891(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1795.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.604
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8101306
Crystal structure of the high temperature phase of tribarium [tetranitridotungstate(VI)], HT-Ba~3~[WN~4~]
Höhn, Peter; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 329–330; doi:

data_8101307
_publ_section_title
;
Crystal structure of the high temperature phase of tribarium 
[tetranitridotungstate(VI)], HT-Ba~3~[WN~4~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              329
_journal_page_last               330
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Ba3 [W N4]'
_chemical_formula_sum            'Ba3 N4 W'
_chemical_formula_weight         651.91
_chemical_name_common            'Tribarium tetranitridotungstate(VI)'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   18.473(2)
_cell_length_b                   18.473(2)
_cell_length_c                   10.427(1)
_cell_measurement_temperature    293(2)
_cell_volume                     3081.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.323
_cod_database_code               8101307
Crystal structure of pentacalcium [tetranitridotungstate(VI)] dioxide, Ca~5~[WN~4~]O~2~
Höhn, Peter; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 333–334; doi:

data_8101308
_publ_section_title
;
Crystal structure of pentacalcium [tetranitridotungstate(VI)] dioxide, 
Ca~5~[WN~4~]O~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              333
_journal_page_last               334
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     Ca5[WN4]O2
_chemical_formula_sum            'Ca5 N4 O2 W'
_chemical_formula_weight         472.29
_chemical_name_common
'Pentacalcium tetranitridotungstate(VI) dioxide'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.39(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.153(1)
_cell_length_b                   6.795(1)
_cell_length_c                   8.506(1)
_cell_measurement_temperature    293(2)
_cell_volume                     355.62(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.411
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               8101308
Crystal structure of the high temperature phase of tribarium [tetranitridomolybdate(VI)], HT-Ba~3~[MoN~4~]
Höhn, Peter; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 327–328; doi:

data_8101309
_publ_section_title
;
Crystal structure of the high temperature phase of tribarium 
[tetranitridomolybdate(VI)], HT-Ba~3~[MoN~4~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              327
_journal_page_last               328
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Ba3 [Mo N4]'
_chemical_formula_sum            'Ba3 Mo N4'
_chemical_formula_weight         564.00
_chemical_name_common            'Tribarium tetranitridomolybdate(VI)'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   18.441(5)
_cell_length_b                   18.441(5)
_cell_length_c                   10.401(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3063.2(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.503
_cod_database_code               8101309